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

General Information of Drug (ID: DR0083)
Drug Name
ASP-2151
Synonyms
Amenalief (TN); Amenamevir; Amenamevir (JAN/INN); Amenamevir [INN]; SB19732; SCHEMBL2238614; 841301-32-4; 94X46KW4AE; AK688795; API0013791; ASP 2151; ASP-2151; ASP2151; BCP29135; CS-8093; D10564; DB11701; EX-A1700; HY-14809; N-(2,6-Dimethylphenyl)-N-(2-{[4-(1,2,4-oxadiazol-3-yl)phenyl]amino}-2-oxoethyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide; N-(2-((4-(1,2,4-oxadiazol-3-yl)phenyl)amino)-2-oxoethyl)-N-(2,6-dimethylphenyl)tetrahydro-2H-thiopyran-4-carboxamide 1,1-dioxide; UNII-94X46KW4AE
Indication Herpes simplex virus infection [ICD11: 1F00] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 482.6 Topological Polar Surface Area 131
Heavy Atom Count 34 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
11397521
PubChem SID
16492396 ; 23547964 ; 42476682 ; 78713204 ; 103047074 ; 135263375 ; 198962754 ; 228365449 ; 245889379
CAS Number
841301-32-4
TTD Drug ID
D07PXQ
Formula
C24H26N4O5S
Canonical SMILES
CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4
InChI
1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)
InChIKey
MNHNIVNAFBSLLX-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[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 800025919)
2 Amenamevir: studies of potential CYP3A-mediated pharmacokinetic interactions with midazolam, cyclosporine, and ritonavir in healthy volunteers. Clin Pharmacol Drug Dev. 2018 Nov;7(8):844-859.

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