Details of the Drug

General Information of Drug (ID: DMHLNA2)

• Drug Name: DdCTP SODIUM
• Synonyms: ddCTP SODIUM; CHEMBL486991; 132619-66-0; 2',3'-Dideoxycytidine 5'-triphosphate sodium salt; DTXSID60635554; PUBCHEM_23679072; FT-0643179; J-006199; 2',3'-Dideoxycytidine 5'-triphosphate sodium salt, > 2',3'-Dideoxycytidine 5'-triphosphate sodium salt solution, for MALDI MS, > =98.0% (HPLC); 2 inverted exclamation marka,3 inverted exclamation marka-Dideoxycytidine 5 inverted exclamation marka-triphosphate sodium salt solution; 2 inverted exclamation marka,3 inverted exclamation marka-Dideoxycytidine 5

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 473.14
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 8
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 12
• Chemical Identifiers:
  Formula: C9H15N3NaO12P3
  IUPAC Name: sodium;[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphoryl] phosphate
  Canonical SMILES: C1C[C@@H](O[C@@H]1COP(=O)([O-])OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N.[Na+]
  InChI: InChI=1S/C9H16N3O12P3.Na/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16;/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16);/q;+1/p-1/t6-,8+;/m0./s1
  InChIKey: LOOMQRBEBYCFPP-QDOHZIMISA-M
• Cross-matching ID:
  PubChem CID: 23679072
  CAS Number: 132619-66-0
  TTD ID: D0H1VJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30)	TTIU7X1	DPOL_HHV11	Inhibitor	[1]

References

• [1] Acylphloroglucinol derivatives from Mahurea palustris. J Nat Prod. 2005 Jul;68(7):979-84.