Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR4485)
Drug Name
AMG 853
Synonyms
VIDUPIPRANT; 1169483-24-2; AMG 853; AMG-853; UNII-61OTZ32XNC; 61OTZ32XNC; 2-(4-(4-(tert-butylcarbamoyl)-2-(2-chloro-4-cyclopropylphenylsulfonamido)phenoxy)-5-chloro-2-fluorophenyl)acetic acid; CHEMBL1951575; AMG 853(AMG853;Vidupiprant); Benzeneacetic acid, 5-chloro-4-[2-[[(2-chloro-4-cyclopropylphenyl)sulfonyl]amino]-4-[[(1,1-dimethylethyl)amino]carbonyl]phenoxy]-2-fluoro-; Vidupiprant [USAN:INN]; AMG853;Vidupiprant; Vidupiprant (USAN/INN); AMG853; SCHEMBL4344221; GTPL10169; DTXSID40151606; BCP28132; ZINC43206238
Indication Asthma [ICD11: CA23] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 609.5 Topological Polar Surface Area 130
Heavy Atom Count 40 Rotatable Bond Count 10
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
42641863
CAS Number
1169483-24-2
TTD Drug ID
D0YB2Y
Formula
C28H27Cl2FN2O6S
Canonical SMILES
CC(C)(C)NC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C(=C2)F)CC(=O)O)Cl)NS(=O)(=O)C3=C(C=C(C=C3)C4CC4)Cl
InChI
InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
InChIKey
PFWVGKROPKKEDW-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
AMG 853 Metabolite M1 DM018963 N. A. Conjugation - Glucuronidation 1 [2]
AMG 853 Metabolite M2 DM016532
118753296
Unclear - Unclear 1 [2]
AMG 853 Metabolite M3 DM016533
118753297
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011354 AMG 853 AMG 853 Metabolite M1 Conjugation - Glucuronidation UGT [2]
MR011355 AMG 853 AMG 853 Metabolite M2 Unclear - Unclear CYP2C8 ... [2]
MR011356 AMG 853 AMG 853 Metabolite M3 Unclear - Unclear CYP2C8 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 2J2 (CYP2J2) DME0031 Homo sapiens
CP2J2_HUMAN
1.14.14.24
[2]
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [2]
References
1 ClinicalTrials.gov (NCT01018550) AMG 853 Phase 2 Study in Subjects With Inadequately Controlled Asthma. U.S. National Institutes of Health.
2 Predicting the drug interaction potential of AMG 853, a dual antagonist of the D-prostanoid and chemoattractant receptor-homologous molecule expressed on T helper 2 cells receptors

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