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
Structure
3D MOL 2D MOL
#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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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