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

General Information of Drug (ID: DR0009)
Drug Name
AZT-MP
Synonyms
AZT-MP; AZT-monophosphate; AzddTMP; Zdv 5'-monophosphate; Zidovudine 5'-monophosphate; Zidovudine monophosphate; 29706-85-2; 3'-Azido-2',3'-deoxythymidine 5'-monophosphate; 3'-Azido-3'-deoxythymidine 5'-phosphate; 3'-Azido-3'-deoxythymidine 5'phosphate; 3'-azido-3'-deoxythymidine monophosphate; 3'-azido-3'-deoxythymidine-5'-monophosphate; 5'-Thymidylic acid, 3'-azido-3'-deoxy-; 97YMU05VPJ; AC1Q6RVL; AZTMP; NSC742230; UNII-97YMU05VPJ; ZDVMP
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 347.22 Topological Polar Surface Area 140
Heavy Atom Count 23 Rotatable Bond Count 5
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
65374
PubChem SID
596158 ; 7885996 ; 8189654 ; 14851799 ; 43122176 ; 57315465 ; 78488546 ; 103570821 ; 104333583 ; 117626853 ; 128812815 ; 135023143 ; 163214800 ; 164800233 ; 180423905 ; 198976154 ; 240054070
CAS Number
29706-85-2
TTD Drug ID
D0A2IQ
Formula
C10H14N5O7P
Canonical SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N=[N+]=[N-]
InChI
1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
InChIKey
OIFWQOKDSPDILA-XLPZGREQSA-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
AZT-DP DM006898 N. A. Unclear 1 [2]
AZT-TP DM006899 N. A. Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007498 AZT-MP AZT-DP Unclear Unclear [2]
MR007499 AZT-DP AZT-TP Unclear DTYMK [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Thymidylate kinase (DTYMK) DME0415 Homo sapiens
KTHY_HUMAN
2.7.4.9
[2]
References
1 How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 Azidothymidine-triphosphate impairs mitochondrial dynamics by disrupting the quality control system. Redox Biol. 2017 Oct;13:407-417.

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