Details of the Drug

General Information of Drug (ID: DMU08MN)

Drug Name

3'-Azido-3'-Deoxythymidine-5'-Monophosphate

Synonyms

AZTMP; Zidovudine 5'-monophosphate; UNII-97YMU05VPJ; ZDVMP; AZT-MP; 3'-azido-3'-deoxythymidine-5'-monophosphate; 97YMU05VPJ; Zidovudine monophosphate; 3'-Azido-3'-deoxythymidine 5'-phosphate; 29706-85-2; 5'-Thymidylic acid, 3'-azido-3'-deoxy-; Zdv 5'-monophosphate; AzddTMP; 3'-azido-3'-deoxythymidine monophosphate; AZT-monophosphate; 3'-Azido-2',3'-deoxythymidine 5'-monophosphate; NSC742230; 3'-Azido-3'-deoxythymidine 5'phosphate; AC1Q6RVL; [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl d

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

347.22

Logarithm of the Partition Coefficient (xlogp)

-1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H14N5O7P
IUPAC Name: [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-]
InChI: 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

Cross-matching ID

PubChem CID: 65374
CAS Number: 29706-85-2
DrugBank ID: DB03666
TTD ID: D0A2IQ
INTEDE ID: DR0009

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Thymidine monophosphate kinase (MycB tmk)	TT5B8AX	KTHY_MYCTU	Inhibitor	[1]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Thymidylate kinase (DTYMK)_{Main DME}	DEOTVYU	KTHY_HUMAN	Substrate	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.