Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0VR2M)
DIG Name
Palmitic acid
Synonyms    Click to Show/Hide the Synonyms of This DIG
palmitic acid; Hexadecanoic acid; 57-10-3; Cetylic acid; palmitate; n-Hexadecanoic acid; Hexadecylic acid; Hydrofol; n-Hexadecoic acid; 1-Pentadecanecarboxylic acid; Palmitinic acid; Pentadecanecarboxylic acid; C16 fatty acid; hexaectylic acid; 1-Hexyldecanoic Acid; Industrene 4516; Emersol 140; Emersol 143; Hystrene 8016; Hystrene 9016; hexadecoic acid; Palmitic acid, pure; Palmitinsaeure; Palmitic acid 95%; Palmitic acid (natural); Fatty acids, C14-18; Prifac 2960; FEMA No. 2832; Pristerene 4934; Edenor C16; Kortacid 1698; Lunac P 95KC; C16:0; Loxiol EP 278; Lunac P 95; Lunac P 98; Hydrofol Acid 1690; HSDB 5001; AI3-01594; C16H32O2; NSC 5030; MFCD00002747; UNII-2V16EO95H1; Palmitic acid (NF); Glycon P-45; CHEBI:15756; NSC5030; Hexadecanoic acid (9CI); Palmitic acid (7CI,8CI); CHEMBL82293; 67701-02-4; CH3-[CH2]14-COOH; 2V16EO95H1; n-hexadecoate; LMFA01010001; PA 900; FA 1695; 1-hexyldecanoate; Palmitic acid, 98%; NCGC00164358-01; DSSTox_CID_1602; pentadecanecarboxylate; DSSTox_RID_76229; DSSTox_GSID_21602; PLM; palmitic-acid; palmic acid; Hexadecanoate (n-C16:0); Hexadecanoic-16,16,16-d3acid; CAS-57-10-3; CCRIS 5443; SR-01000944716; EINECS 200-312-9; Palmitic acid [USAN:NF]; BRN 0607489; palmitoate; Hexadecoate; Palmitinate; palmitoic acid; Aethalic acid; Hexadecanoic acid Palmitic acid; (C14-C18)Alkylcarboxylic acid; 2hmb; 2hnx; (C14-C18) Alkylcarboxylic acid; Fatty acid pathway; palmitic acid group; Palmitic acid_jeyam; EINECS 266-926-4; Palmitic Acid, FCC; Kortacid 1695; Palmitic acid_RaGuSa; Univol U332; Prifrac 2960; Hexadecanoic acid anion; 3v2q; ACMC-1ASQF; SDA 17-005-00; Palmitic acid, >=99%; bmse000590; Epitope ID:141181; EC 200-312-9; Hexadecanoic-9,9-d2 acid; SCHEMBL6177; 4-02-00-01157 (Beilstein Handbook Reference); FAT; WLN: QV15; P5585_SIGMA; Palmitic acid-[9,10-3H]; GTPL1055; QSPL 166; CCCCCCCCCCCCCCCC([O])=O; DTXSID2021602; HEXADECANOIC-12-D1 ACID; 1b56; HMS3649N08; Palmitic acid, analytical standard; Palmitic acid, BioXtra, >=99%; HEXADECANOIC-3,3-D2 ACID; HEXADECANOIC-4,4-D2 ACID; Palmitic acid, Grade II, ~95%; HY-N0830; NSC-5030; Palmitic acid, natural, 98%, FG; ZINC6072466; Tox21_112105; Tox21_201671; Tox21_302966; ANW-13574; BBL011563; BDBM50152850; s3794; SBB017229; STL146733; Palmitic acid, >=95%, FCC, FG; AKOS005720983; HEXADECANOIC-13,13-D2 ACID; Light end (C14-C18) saturated fatty acid fraction from tallow fatty acids; Tox21_112105_1; CCG-267027; CR-0047; DB03796; FA 16:0; MCULE-1361949901; Palmitic acid, for synthesis, 98.0%; NCGC00164358-02; NCGC00164358-03; NCGC00256424-01; NCGC00259220-01; AK-48351; I728; Palmitic acid, purum, >=98.0% (GC); ST023798; SY006518; CS-0009861; FT-0626965; FT-0772579; N2456; P0002; P1145; Palmitic acid, SAJ first grade, >=95.0%; Hexadecanoic-11,11,12,12-d4acid (9CI); Palmitic acid-15,15,16,16,16-[d5]; A14813; C00249; D05341; Hexadecanoic acid 10 microg/mL in Acetonitrile; Palmitic acid, Vetec(TM) reagent grade, 98%; Palmitic acid, >=98% palmitic acid basis (GC); HEXADECANOIC ACID-13C16 (ALGAL SOURCE) (; Q209727; SR-01000944716-1; SR-01000944716-2; BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C; F0001-1488; Z955123552; Palmitic acid, certified reference material, TraceCERT(R); UNII-13FB83DEYU component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-44NH37HHP9 component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-5U9XZ261ER component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-7N137Q0QYJ component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-96GS7P39SN component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-B6G0Y5Z616 component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-D1CZ545P7Z component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-HBA528N3PW component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-J505W0PXX8 component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-MO7HV04S9Y component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-ODL221H4AM component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-Q8Y7S3B85M component IPCSVZSSVZVIGE-UHFFFAOYSA-N; UNII-V1PY73ZXPE component IPCSVZSSVZVIGE-UHFFFAOYSA-N; Palmitic acid, European Pharmacopoeia (EP) Reference Standard; UNII-79P21R4317 component IPCSVZSSVZVIGE-UHFFFAOYSA-N; Palmitic acid, United States Pharmacopeia (USP) Reference Standard; Palmitic acid, Pharmaceutical Secondary Standard; Certified Reference Material; 272442-14-5; 285979-77-3; 30719-28-9; 358730-99-1; 62690-28-2; 75736-57-1; 81462-28-4; 83293-32-7; HEXADECANOIC-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-D17 ACID; Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759
DIG Function
Emulsifying agent; Penetration agent; lubricant
PubChem CID
985
Formula
C16H32O2
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)O
InChI
1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey
IPCSVZSSVZVIGE-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=985"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 256.42 Topological Polar Surface Area 37.3
XlogP 6.4 Complexity 178
Heavy Atom Count 18 Rotatable Bond Count 14
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 11 Circulatory system disease Click to Show/Hide
Captopril
 API Info
Essential hypertension [ICD-11: BA00]
 [1]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      G-protein coupled receptor (GPCR)
            DBT Name: Olfactory receptor 51E2 (OR51E2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 9.8 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID O51E2_HUMAN
      Oxidoreductase (ORase)
            DBT Name: Prostaglandin G/H synthase 1 (COX-1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 > 500000 nM (tested by experiment) [3]
                    Tested Species Bos taurus (Bovine)
                    UniProt ID PGH1_BOVIN
            DBT Name: Prostaglandin G/H synthase 2 (COX-2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment (1) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 > 500000 nM (tested by experiment) [3]
                    Tested Species Ovis aries (Sheep)
                    UniProt ID PGH2_SHEEP
               Experiment (2) for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 > 3 uM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PGH2_HUMAN
      Hydrolase (HDase)
            DBT Name: Toll-like receptor 2 (TLR2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 5000 nM (tested by experiment) [5]
                    Tested Species Homo sapiens (Human)
                    UniProt ID TLR2_HUMAN
            DBT Name: Phosphodiesterase 3A (PDE3A) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 4.1 uM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PDE3A_HUMAN
            DBT Name: Phosphodiesterase 4D (PDE4D) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 6.6 uM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PDE4D_HUMAN
      Potential-driven transporter (PDT)
            DBT Name: Monoamine transporter VAT2 (VMAT2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 4.4 uM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID VMAT2_HUMAN
      Transmembrane channel/porin (TC/P)
            DBT Name: Vanilloid receptor 2 (TrpV2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 > 10000 nM (tested by experiment) [6]
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID TRPV2_RAT
      Nuclear receptor (NR)
            DBT Name: PPAR-alpha (PPARA) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 1500 nM (tested by experiment) [7]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPARA_HUMAN
            DBT Name: PPAR-delta (PPARD) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 7400 nM (tested by experiment) [7]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPARD_HUMAN
            DBT Name: PPAR-gamma (PPARG) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 30000 nM (tested by experiment) [7]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PPARG_HUMAN
      Other protein families (OPF)
            DBT Name: Adipocyte lipid-binding protein (ALBP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 930 nM (tested by experiment) [8]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FABP4_HUMAN
            DBT Name: Epidermal lipid-binding protein (E-FABP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 1200 nM (tested by experiment) [8]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FABP5_HUMAN
            DBT Name: Heart lipid-binding protein (H-FABP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 2600 nM (tested by experiment) [8]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FABPH_HUMAN
            DBT Name: Intestinal lipid-binding protein (I-FABP) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 1700 nM (tested by experiment) [8]
                    Tested Species Homo sapiens (Human)
                    UniProt ID FABPI_HUMAN
      Cell line (CELL)
            DBT Name: Lung cancer A-549 cells (A-549) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 150000 nM (tested by experiment) [9]
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0023
            DBT Name: Myoblast L6 cells (L6) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 52.7 ug.mL-1 (tested by experiment) [10]
                    Tested Species Rattus norvegicus (Rat)
                    Cellosaurus ID CVCL_0385
            DBT Name: Lymphoma S49 cells (S49) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity EC50 = 500000 nM (tested by experiment) [11]
                    Tested Species Mus musculus (Mouse)
                    Cellosaurus ID CVCL_D198
References
1 FDA label for approved captopril from the official website of the U.S. Food and Drug Administration.
2 US patent application no. 20180116992A1, Modulators of Prostate-Specific G-Protein Receptor (PSGR/OR51E2) and Methods of Using Same.
3 Cox-2 inhibitory effects of naturally occurring and modified fatty acids. J Nat Prod. 2001 Jun; 64(6):745-9.
4 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
5 Lipolanthionine peptides act as inhibitors of TLR2-mediated IL-8 secretion. Synthesis and structure-activity relationships. J Med Chem. 2006 Mar 9; 49(5):1754-65.
6 Elongation of the Hydrophobic Chain as a Molecular Switch: Discovery of Capsaicin Derivatives and Endogenous Lipids as Potent Transient Receptor Potential Vanilloid Channel 2 Antagonists. J Med Chem. 2018 Sep 27; 61(18):8255-8281.
7 Molecular properties of fatty acids related to PPAR binding and metabolic diseases. Med Chem Res (2013) 22:3126-3133.
8 Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target. Bioorg Med Chem Lett. 2004 Sep 6; 14(17):4445-8.
9 A comprehensive review of topoisomerase inhibitors as anticancer agents in the past decade. Eur J Med Chem. 2019 Jun 1; 171:129-168.
10 2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections. Bioorg Med Chem. 2010 Nov 1; 18(21):7475-85.
11 2'-O-Acyl-6-thioinosine cyclic 3',5'-phosphates as prodrugs of thioinosinic acid. J Med Chem. 1979 Jul; 22(7):811-5.

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