Details of the Drug

General Information of Drug (ID: DMA5FGS)

• Drug Name: Cytidine-5'-Diphosphate
• Synonyms: CDP trianion; cytidine 5'-diphosphate(2-); cytidine 5'-pyrophosphate(2-); CHEBI:58069; CDP(3-); 5'-O-[(phosphonatooxy)phosphinato]cytidine; A834354; [[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] phosphate; [[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] phosphate

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 403.18
  Topological Polar Surface Area (xlogp); -4.5
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C9H15N3O11P2
  IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
  Canonical SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O
  InChI: InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
  InChIKey: ZWIADYZPOWUWEW-XVFCMESISA-N
• Cross-matching ID:
  PubChem CID: 6132
  ChEBI ID: CHEBI:17239
  CAS Number: 63-38-7
  DrugBank ID: DB04555
  TTD ID: D07XZT

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Deoxy-manno-octulosonate cytidylyltransferase (Bact kdsB)	TTQ8J1V	KDSB_ECOLI	Inhibitor	[1]
Streptococcus Cytidylate kinase (Stre-coc cmk)	TTMFYEC	KCY_STRPN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.