Details of the Drug

General Information of Drug (ID: DMEQXUD)

Drug Name

2',3'-Dideoxythymidine-5'-Monophosphate

Synonyms

ddTMP; 5'-Thymidylic acid, 3'-deoxy-; 2',3'-DIDEOXYTHYMIDINE-5'-MONOPHOSPHATE; 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE; [(2s,5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate; 3715-64-8; 2DT; 3'-Deoxy-5'-thymidylic acid; AC1Q69EO; AC1L4W6C; 3-Deoxy-5-thymidylic acid; SCHEMBL8883; deoxy-thymidine monophosphate; CHEMBL1229914; CTK4H7825; DTXSID20190634; ZINC1610269; DB03150; 2',3'-Dideoxythymidine-5'-monophosphate disodium salt

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): 1

Molecular Weight (mw)

306.21

Logarithm of the Partition Coefficient (xlogp)

-2.8

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H15N2O7P
IUPAC Name: [(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O
InChI: InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKey: WVNRRNJFRREKAR-JGVFFNPUSA-N

Cross-matching ID

PubChem CID: 165151
CAS Number: 3715-64-8
DrugBank ID: DB03150
TTD ID: D0SC7C

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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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.