Details of the Drug

General Information of Drug (ID: DMG7CAU)

Drug Name

2'-Deoxycytidine-5'-Monophosphate

Synonyms

1032-65-1; dCMP; deoxycytidylic acid; 2'-Deoxycytidine-5'-monophosphoric acid; deoxycytidine monophosphate; 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE; 5'-Cytidylic acid, 2'-deoxy-; 2'-Deoxycytidine 5'-monophosphate; Deoxycytidine-5'-monophosphoric acid; Deoxycytidylate; Polydeoxycytidylic acid; UNII-W7A9174XQL; 2'-deoxy-5'-cytidylic acid; W7A9174XQL; CHEBI:15918; NCMVOABPESMRCP-SHYZEUOFSA-N; deoxycytidine-phosphate; 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE FREE ACID

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)

307.2

Logarithm of the Partition Coefficient (xlogp)

-3.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C9H14N3O7P
IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
InChI: InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey: NCMVOABPESMRCP-SHYZEUOFSA-N

Cross-matching ID

PubChem CID: 13945
ChEBI ID: CHEBI:15918
CAS Number: 1032-65-1
DrugBank ID: DB03798
TTD ID: D06FMH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Thymidylate synthase (Candi TMP1)	TTU6BFZ	TYSY_CANAL	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.