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

General Information of Drug (ID: DR1896)
Drug Name
SHP-620
Synonyms
Benzimidavir; Camvia; Camvia (TN); Camvia(TM); Maribavir; Maribavir [USAN:INN:BAN]; PTB4X93HE1; (2S,3S,4R,5S)-2-(5,6-dichloro-2-(isopropylamino)-1H-benzo[d]imidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; (2S,3S,4R,5S)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol; 1263W94; 176161-24-3; 5,6-Dichloro-2-(isopropylamino)-1-(beta-L-ribofuranosyl)-1H-benzimidazole; 5,6-Dichloro-N-(1-methylethyl)-1-beta-L-ribofuranosyl-1H-benzimidazol-2-amine; C15H19Cl2N3O4; UNII-PTB4X93HE1
Indication Cytomegalovirus infection [ICD11: 1D82] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 376.2 Topological Polar Surface Area 99.8
Heavy Atom Count 24 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
471161
PubChem SID
626300 ; 10306757 ; 12015036 ; 14804326 ; 14853350 ; 47206634 ; 50521885 ; 57405610 ; 71821537 ; 93302821 ; 103651231 ; 103842355 ; 109755304 ; 117368779 ; 118047322 ; 126629454 ; 128390115 ; 134339815 ; 134340205 ; 135078600 ; 137263772 ; 137267657 ; 142220709 ; 152101613 ; 160839470 ; 163099359 ; 163402541 ; 164824892 ; 184528158 ; 184546347 ; 198936541 ; 204433727 ; 210275491 ; 210281139 ; 223554910 ; 225069495 ; 227071991 ; 252345516 ; 252511550
CAS Number
176161-24-3
TTD Drug ID
D07WXI
Formula
C15H19Cl2N3O4
Canonical SMILES
CC(C)NC1=NC2=CC(=C(C=C2N1C3C(C(C(O3)CO)O)O)Cl)Cl
InChI
1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1
InChIKey
KJFBVJALEQWJBS-XUXIUFHCSA-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
VP 44469 DM005100
53794264
Oxidation - N-dealkylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006464 SHP-620 VP 44469 Oxidation - N-dealkylation CYP3A4 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 ClinicalTrials.gov (NCT00497796) Maribavir Versus Oral Ganciclovir For The Prevention of Cytomegalovirus (CMV) Disease in Liver Transplant Recipients.
2 Effect of ketoconazole on the pharmacokinetics of maribavir in healthy adults
3 Maribavir pharmacokinetics and the effects of multiple-dose maribavir on cytochrome P450 (CYP) 1A2, CYP 2C9, CYP 2C19, CYP 2D6, CYP 3A, N-acetyltransferase-2, and xanthine oxidase activities in healthy adults. Antimicrob Agents Chemother. 2006 Apr;50(4):1130-5.

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