Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E05RKR)
DIG Name
Antipyrine
Synonyms    Click to Show/Hide the Synonyms of This DIG
antipyrine; Phenazone; 60-80-0; Antipyrin; Phenazon; Analgesine; Anodynine; Anodynin; Azophen; Fenazone; 2,3-Dimethyl-1-phenyl-5-pyrazolone; Antipirin; Phenozone; Apirelina; Azophene; Methozin; Parodyne; Phenazonum; Phenylone; Pyrazophyl; Sedatine; Sedatin; Dimethyloxychinizin; Antipyrinum; Dimethyloxyquinazine; Oxydimethylquinazine; Azophenum; Phenylon; 3-Antipyrine; Fenazon [Czech]; Fenazona; 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-; Fenazona [INN-Spanish]; Phenazone (pharmaceutical); Fenazon; 1,5-Dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one; Oxydimethylquinizine; 2,3-Dimethyl-1-phenyl-3-pyrazolin-5-one; 1-Phenyl-2,3-dimethyl-5-pyrazolone; 1-Phenyl-2,3-dimethylpyrazole-5-one; 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one; CHEBI:31225; UNII-T3CHA1B51H; NSC 7945; Phenazone;Phenazon; 1,5-dimethyl-2-phenylpyrazol-3-one; MFCD00003146; T3CHA1B51H; Phenazone (INN); Phenazone [INN]; NSC-7945; Antipyrine, 99%; 1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one; CAS-60-80-0; NCGC00016274-04; DSSTox_CID_1117; DSSTox_RID_75949; DSSTox_GSID_21117; Phenazonum [INN-Latin]; SMR000238140; CCRIS 1369; Antipyrine [USP:JAN]; SR-05000001566; EINECS 200-486-6; AI3-15293; .beta.-Antipyrine; Prestwick_26; Antipyrine Crystals; component of Auralgan; 1,5-dimethyl-2-phenyl-pyrazol-3-one; Spectrum_000058; Prestwick0_000029; Prestwick1_000029; Prestwick2_000029; Prestwick3_000029; Spectrum2_000088; Spectrum3_000305; Spectrum4_000152; Spectrum5_000842; ACMC-209mm6; Antipyrine (JP17/USP); Epitope ID:124927; EC 200-486-6; 1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one; Propyphenazone EP impurity A; SCHEMBL20452; BSPBio_000097; BSPBio_001870; KBioGR_000624; KBioSS_000438; Antipyrine-d3(N-methyl-d3); MLS001331753; MLS001332401; MLS001332402; MLS002154179; DivK1c_000484; SPECTRUM1500128; SPBio_000016; SPBio_002018; Antipyrine, analytical standard; BPBio1_000107; CHEMBL277474; DTXSID6021117; HMS501I06; KBio1_000484; KBio2_000438; KBio2_003006; KBio2_005574; KBio3_001370; ZINC61044; NSC7945; Antipyrine, >=99.0% (RT); NINDS_000484; HMS1568E19; HMS1920E09; HMS2091K09; HMS2095E19; HMS2272G04; HMS3652C09; HMS3712E19; HMS3885C11; Pharmakon1600-01500128; WLN: T5NNVJ A1 BR& E1; HY-B0171; Tox21_110342; Tox21_201600; Tox21_303026; Antipyrine, Sigma Reference Standard; ANW-33580; BBL001832; BDBM50103600; CCG-38904; NSC755874; s3173; SBB017226; STK328171; 1,5-Dimethyl-2-phenyl-3-pyrazolone; AKOS000588788; Tox21_110342_1; CS-2044; DB01435; MCULE-9945022433; NSC-755874; IDI1_000484; Antipyrine, analytical reference material; Antipyrine, tested according to Ph.Eur.; NCGC00016274-01; NCGC00016274-02; NCGC00016274-03; NCGC00016274-05; NCGC00016274-06; NCGC00016274-07; NCGC00016274-09; NCGC00016274-10; NCGC00094591-01; NCGC00094591-02; NCGC00094591-03; NCGC00178937-01; NCGC00178937-02; NCGC00256527-01; NCGC00259149-01; AS-13248; H725; ST009485; SBI-0051287.P003; Antipyrine, Vetec(TM) reagent grade, 98%; D1876; FT-0609690; FT-0662246; SW196343-3; A19580; BIM-0051287.0001; C13244; D01776; AF-960/00437050; Q415578; Q-201552; SR-05000001566-1; SR-05000001566-3; BRD-K46937689-001-05-1; BRD-K46937689-001-08-5; Z56869297; F2173-0728; 1,5-Dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one #; Phenazone, European Pharmacopoeia (EP) Reference Standard; Antipyrine, United States Pharmacopeia (USP) Reference Standard; 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one; Phenazone
DIG Function
Other agent
PubChem CID
2206
Formula
C11H12N2O
Canonical SMILES
CC1=CC(=O)N(N1C)C2=CC=CC=C2
InChI
1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
VEQOALNAAJBPNY-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=2206"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 188.23 Topological Polar Surface Area 23.6
XlogP 0.4 Complexity 267
Heavy Atom Count 14 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Cytochrome P450 2J2 (CYP2J2) 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 > 50000 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2J2_HUMAN
      Primary active transporter (PAT)
            DBT Name: Multidrug resistance protein 3 (ABCC3) 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 = 133000 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP3_HUMAN
            DBT Name: Bile salt export pump (BSEP) 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 = 133000 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID ABCBB_HUMAN
            DBT Name: Multidrug resistance protein 4 (ABCC4) 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 = 133000 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP4_HUMAN
            DBT Name: Multidrug resistance protein 2 (ABCC2) 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 = 133000 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID MRP2_HUMAN
      Potential-driven transporter (PDT)
            DBT Name: Excitatory amino-acid carrier 1 (EAAC1) 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 > 50000 nM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID CP2J2_HUMAN
References
1 Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors. Drug Metab Dispos. 2013 Jan; 41(1):60-71.
2 A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci. 2013 Nov; 136(1):216-41.

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