Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0S1ZN)
DIG Name
Cholesterol
Synonyms    Click to Show/Hide the Synonyms of This DIG
cholesterol; 57-88-5; Cholesterin; Cholesteryl alcohol; Cholest-5-en-3beta-ol; Cholestrin; Cordulan; Dusoline; Dusoran; Cholesterine; Cholestrol; Hydrocerin; Dythol; Kathro; Lanol; Super hartolan; Provitamin D; Cholesterol base H; Lidinite; Lidinit; Nimco cholesterol base H; 5-Cholesten-3beta-ol; Wool alcohols B. P.; (-)-Cholesterol; (3beta)-cholest-5-en-3-ol; Tegolan (VAN); 5:6-Cholesten-3beta-ol; Cholest-5-en-3-beta-ol; Tegolan; 3beta-Hydroxycholest-5-ene; Cholest-5-en-3-ol (3beta)-; Cholest-5-en-3-ol; 3-beta-Hydroxycholest-5-ene; CCRIS 2834; Dastar; HSDB 7106; delta(sup 5)-Cholesten-3-beta-ol; Fancol CH; 3beta-Hydroxy-5-cholestene; NSC 8798; UNII-97C5T2UQ7J; 5-Cholesten-3B-ol; CHEBI:16113; AI3-03112; Nimco cholesterol base No. 712; 5:6-Cholesten-3-ol; MFCD00003646; 5-Cholesten-3.beta.-ol; Cholest-5-en-3.beta.-ol; 5,6-Cholesten-3.beta.-ol; 3.beta.-Hydroxycholest-5-ene; 97C5T2UQ7J; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3beta,14beta,17alpha)-cholest-5-en-3-ol; NSC8798; NSC-8798; NCGC00159351-02; Cholest-5-en-3-ol (3.beta.)-; (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol; Cholesterinum; Cholesterol-t; 3h-cholesterol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3H)-Cholesterol; Cholest-5-en-3-ol, (3beta)-; EINECS 200-353-2; epicholesterin; Cholesterol [BAN:JAN:NF]; .DELTA.5-Cholesten-3-.beta.-ol; cholesterol group; 1zhy; Cholesterol,(S); Cholest-5-en-3-ol, (3.beta.)- #; Cholesterol (TN); sterol;Cholesterin,Cholest-5-en-3beta-ol; 20-epi-cholesterol; 20-iso-cholesterol; Cholesterol, 94%; Liquid crystal CN/9; (+)-ent-Cholesterol; cholest-5-en-3b-ol; 5-Cholesten-3ss--ol; 5-cholestene-3beta-ol; PubChem19974; 5-Cholesten-3bet.-ol; Cholesterol, 99.0%; Cholesterol (JP17/NF); DSSTox_CID_2401; Phospholipon & Cholesterol; 3ss-Cholest-5-en-3-ol; Cholesterol, Plant-Derived; Delta5-Cholesten-3beta-ol; Epitope ID:150761; EC 200-353-2; 3beta-cholest-5-en-3-ol; 3ss--Hydroxy-5-cholestene; 3bet.-Hydroxy-5-cholestene; DSSTox_RID_76573; BIDD:PXR0095; DSSTox_GSID_22401; (3b)-cholest-5-en-3-ol; 5:6-Cholesten-3.beta.-ol; 20bFH-cholest-5-en-3b-ol; BIDD:ER0548; Cholest-5-en-3-ol (3beta)-, labeled with tritium; CHEMBL112570; GTPL2718; DTXSID3022401; (3 )-Cholest-5-en-3-ol; BDBM20192; (20bFH)-cholest-5-en-3b-ol; CHEBI:140435; 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Cholesterol, Sigma Grade, >=99%; HY-N0322; ZINC3875383; Tox21_111595; ANW-32821; CMC_13392; LMST01010001; s4154; SBB058670; AKOS005267135; Cholest-5-en-3-ol, (3-.beta.)-; CS-5106; DB04540; GS-6857; MCULE-6413140986; CAS-57-88-5; Cholesterol, NIST(R) SRM(R) 911c; SMP1_000069; NCGC00159351-03; 22243-67-0; 80356-14-5; Cholesterol 10 microg/mL in Acetonitrile; Cholesterol, tested according to Ph.Eur.; Cholesterol, from lanolin, >=95.0% (GC); Cholesterol, from lanolin, >=99.0% (GC); 1889-EP2269610A2; 1889-EP2269977A2; 1889-EP2269989A1; 1889-EP2269990A1; 1889-EP2270011A1; 1889-EP2270505A1; 1889-EP2272822A1; 1889-EP2272825A2; 1889-EP2272834A1; 1889-EP2272841A1; 1889-EP2272843A1; 1889-EP2274983A1; 1889-EP2275105A1; 1889-EP2277507A1; 1889-EP2277565A2; 1889-EP2277566A2; 1889-EP2277567A1; 1889-EP2277568A2; 1889-EP2277569A2; 1889-EP2277570A2; 1889-EP2277865A1; 1889-EP2280001A1; 1889-EP2280282A1; 1889-EP2281817A1; 1889-EP2281824A1; 1889-EP2281899A2; 1889-EP2284157A1; 1889-EP2284158A1; 1889-EP2286795A1; 1889-EP2287165A2; 1889-EP2287166A2; 1889-EP2289510A1; 1889-EP2289883A1; 1889-EP2292228A1; 1889-EP2292234A1; 1889-EP2292280A1; 1889-EP2292596A2; 1889-EP2292612A2; 1889-EP2292620A2; 1889-EP2295406A1; 1889-EP2295409A1; 1889-EP2295411A1; 1889-EP2295417A1; 1889-EP2295429A1; 1889-EP2295439A1; 1889-EP2298312A1; 1889-EP2298728A1; 1889-EP2298731A1; 1889-EP2298735A1; 1889-EP2298742A1; 1889-EP2298745A1; 1889-EP2298747A1; 1889-EP2298772A1; 1889-EP2298776A1; 1889-EP2298779A1; 1889-EP2301923A1; 1889-EP2301929A1; 1889-EP2301935A1; 1889-EP2301936A1; 1889-EP2305648A1; 1889-EP2305668A1; 1889-EP2305674A1; 1889-EP2305695A2; 1889-EP2305696A2; 1889-EP2305697A2; 1889-EP2305698A2; 1889-EP2305825A1; 1889-EP2308479A2; 1889-EP2308838A1; 1889-EP2308839A1; 1889-EP2308858A1; 1889-EP2309584A1; 1889-EP2311811A1; 1889-EP2311816A1; 1889-EP2311817A1; 1889-EP2311821A1; 1889-EP2311823A1; 1889-EP2311825A1; 1889-EP2311836A1; 1889-EP2311841A1; 1889-EP2314295A1; 1889-EP2314576A1; 1889-EP2314588A1; 1889-EP2314593A1; 1889-EP2316457A1; 1889-EP2316458A1; 1889-EP2316470A2; 1889-EP2316825A1; 1889-EP2316826A1; 1889-EP2316827A1; 1889-EP2316828A1; 1889-EP2377510A1; C00187; D00040; Q43656; Z-0798; AB00443913_03; Cholesterol, >=95% (GC), powder, Ash, free; Cholesterol, Vetec(TM) reagent grade, >=92.5%; Soya phospholipon & Cholesterol (2:1 molar ratio); W-105431; 5BBA213B-ECF4-44AF-8AAF-8A0120F2F886; Cholesterol (cGMP, animal-origin free, vegetal-derived); Cholesterol, from sheep wool, >=92.5% (GC), powder; WLN: L E5 B666 LUTJ A1 E1 FY1&3Y1&1 OQ; Cholesterol (non-cGMP, animal-origin free, vegetal-derived); Cholesterol, European Pharmacopoeia (EP) Reference Standard; Cholesterol, powder, BioReagent, suitable for cell culture, >=99%; Cholesterol, United States Pharmacopeia (USP) Reference Standard; Cholesterol solution, certified reference material, 10 mg/mL in chloroform; Cholesterol, Pharmaceutical Secondary Standard; Certified Reference Material; PhytoChol Puriss (animal-origin free, vegetal-derived Cholesterol); Cholesterol, from sheep wool, Controlled origin, meets USP/NF testing specifications; (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadec-7-en-5-ol; 14-((1R)-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyltetracyclo[ 8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-ol; Cholesterol, Plant-Derived, SyntheChol(R), PharmaGrade, USP/NF, Ph Eur, Manufactured under appropriate GMP controls for pharma or biopharmaceutical production; SyntheChol(R) NS0 Supplement, 500 x, synthetic cholesterol, animal component-free, aqueous solution, sterile-filtered, suitable for cell culture
DIG Function
Emollient; Emulsifying agent
PubChem CID
5997
Formula
C27H46O
Canonical SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
HVYWMOMLDIMFJA-DPAQBDIFSA-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=5997"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 386.7 Topological Polar Surface Area 20.2
XlogP 8.7 Complexity 591
Heavy Atom Count 28 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: Sterol 14-alpha demethylase (CYP51A1) 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 > 200000 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP51A_HUMAN
      Transferase (TFase)
            DBT Name: DNA polymerase alpha (POLA) 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) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID DPOLA_HUMAN
            DBT Name: DNA polymerase beta (POLB) 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) [2]
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID DPOLB_RAT
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: DNA topoisomerase II (TOP2) 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) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID TOP2A_HUMAN ; TOP2B_HUMAN
      Nuclear receptor (NR)
            DBT Name: Androgen receptor (AR) 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 > 42657.95 nM (tested by experiment) [3]
                    Tested Species Rattus norvegicus (Rat)
                    UniProt ID ANDR_RAT
            DBT Name: Nuclear receptor ROR-gamma (RORC) 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 = 20 nM (tested by experiment) [4]
                    Tested Species Homo sapiens (Human)
                    UniProt ID RORG_HUMAN
References
1 Three-dimensional quantitative structure-activity relationship analysis of human CYP51 inhibitors. Drug Metab Dispos. 2007 Mar; 35(3):493-500.
2 Molecular design of cholesterols as inhibitors of DNA polymerase alpha. J Med Chem. 2004 Sep 23; 47(20):4971-4.
3 Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. J Med Chem. 2005 Sep 8; 48(18):5666-74.
4 Retinoic Acid Receptor-Related Orphan Receptor t (RORt) Agonists as Potential Small Molecule Therapeutics for Cancer Immunotherapy. J Med Chem. 2018 Jul 26; 61(14):5794-5804.

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