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

General Information of Drug (ID: DR1806)
Drug Name
MK-7246
Synonyms
MK-7246; MK7246; PB37255; Q-4144; SB20312; SC-87073; SCHEMBL2186905; X0LHZ71TLK; ZINC34804182; (R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid; 1218918-62-7; 2-[(7R)-7-(N-methyl4-fluorobenzenesulfonamido)-; 6H,7H,8H,9H-pyrido[1,2-a]indol-10-yl]acetic acid; BCP16217; BDBM50296980; CHEMBL561132; CS-0009391; EX-A1915; HY-15853; MFCD22741619; Pyrido(1,2-a)indole-10-acetic acid, 7-(((4-fluorophenyl)sulfonyl)methylamino)-6,7,8,9-tetrahydro-, (7R)-; UNII-X0LHZ71TLK
Indication Asthma [ICD11: CA23] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 416.5 Topological Polar Surface Area 88
Heavy Atom Count 29 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
45268455
CAS Number
1218918-62-7
TTD Drug ID
D0I3TU
Formula
C21H21FN2O4S
Canonical SMILES
CN(C1CCC2=C(C3=CC=CC=C3N2C1)CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F
InChI
1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-21(25)26)17-4-2-3-5-19(17)24(20)13-15/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)/t15-/m1/s1
InChIKey
JTCAGRAKUAAYDY-OAHLLOKOSA-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
MK-7246 Metabolite M3 DM003515 N. A. Conjugation - Glucuronidation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003964 MK-7246 MK-7246 Metabolite M3 Conjugation - Glucuronidation UGT2B17 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 2B17 (UGT2B17) DME0066 Homo sapiens
UDB17_HUMAN
2.4.1.17
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031315)
2 UGT2B17 genetic polymorphisms dramatically affect the pharmacokinetics of MK-7246 in healthy subjects in a first-in-human study. Clin Pharmacol Ther. 2012 Jul;92(1):96-102.

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