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

General Information of Drug (ID: DR1724)
Drug Name
Zalcitabine
Synonyms
Zalcitibine; Cytidine, 2',3'-dideoxy-; Dideoxycytidine; Ro 24-2027/000; Ro-24-2027/000; WREGKURFCTUGRC-POYBYMJQSA-N; zalcitabine; 1-(2,3-Dideoxy-beta-D-ribofuranosyl)cytosine; 2',3'-DIDEOXYCYTIDINE; 2,3-dideoxycytidine; 4-Amino-1-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one; 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one; 6L3XT8CB3I; 7481-89-2; BRN 0654956; C9H13N3O3; CCRIS 692; CHEBI:10101; CHEMBL853; HIVID; HSDB 7156; MFCD00012188; NSC 606170; UNII-6L3XT8CB3I; ddC; ddCyd
Indication Human immunodeficiency virus infection [ICD11: 1C60] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 211.22 Topological Polar Surface Area 88.2
Heavy Atom Count 15 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
24066
PubChem SID
9416 ; 595891 ; 596441 ; 596607 ; 596679 ; 601537 ; 602107 ; 878108 ; 3259589 ; 7847478 ; 7980904 ; 8167576 ; 11467065 ; 11468185 ; 11486840 ; 11504751 ; 11528334 ; 11532889 ; 14797711 ; 15171927 ; 17389522 ; 17404923 ; 22391526 ; 22431601 ; 24278377 ; 24862834 ; 25819962 ; 26719633 ; 26752752 ; 26752753 ; 29291163 ; 46386814 ; 46488030 ; 46507879 ; 47216920 ; 47216921 ; 47589142 ; 48185139 ; 48334652 ; 48416706 ; 48422195 ; 48422429 ; 48423540 ; 48424478 ; 49681781 ; 49693297 ; 49699414 ; 49734166 ; 50105404 ; 50105405
ChEBI ID
CHEBI:10101
CAS Number
7481-89-2
TTD Drug ID
D0Z9QR
Formula
C9H13N3O3
Canonical SMILES
C1CC(OC1CO)N2C=CC(=NC2=O)N
InChI
1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
InChIKey
WREGKURFCTUGRC-POYBYMJQSA-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
dideoxycyridine monophosphate DM005333
65161
Unclear 1 [3]
dideoxycytidine diphosphate DM020040
656930
Unclear 2 [3]
dideoxycytidine triphosphate DM005334
119119
Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013288 Zalcitabine dideoxycyridine monophosphate Unclear Unclear [3]
MR013289 dideoxycyridine monophosphate dideoxycytidine diphosphate Unclear Unclear [3]
MR013290 dideoxycytidine diphosphate dideoxycytidine triphosphate Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A43 (CYP3A43) DME0022 Homo sapiens
CP343_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[2]
⏷ Show the Full List of 6  DME(s)
References
1 Zalcitabine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Protease inhibitors in patients with HIV disease. Clinically important pharmacokinetic considerations. Clin Pharmacokinet. 1997 Mar;32(3):194-209.
3 Zalcitabine

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