Details of the Drug

General Information of Drug (ID: DM4KZ1W)

• Drug Name: Cyclopentylcytosine
• Synonyms: cyclopentylcytosine

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 455.06
  Logarithm of the Partition Coefficient (xlogp); -2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 14
• Chemical Identifiers:
  Formula: C9H4N3O13P3
  IUPAC Name: 7,13,17-trioxo-6,8,12,14,16,18,22,23,24-nonaoxa-2,4,11-triaza-7lambda5,13lambda5,17lambda5-triphosphaoctacyclo[11.8.1.17,11.117,19.01,15.02,10.05,9.015,19]tetracosa-4,9-dien-3-one
  Canonical SMILES: C1CC23C4(C15N6C7=C8C(=NC6=O)OP(=O)(O8)ON7OP(=O)(O5)O4)OP(=O)(O2)O3
  InChI: InChI=1S/C9H4N3O13P3/c13-6-10-4-3-5-11(6)7-1-2-8-9(7,22-27(15,20-8)21-8)23-28(16,19-7)25-12(5)24-26(14,17-3)18-4/h1-2H2
  InChIKey: VLAUHALXFDMKAB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 129775084
  TTD ID: D08XAW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
CTP synthase (CTPS1)	TTN12BZ	PYRG1_HUMAN	Inhibitor	[1]

References

• [1] Molecular approaches for the treatment of hemorrhagic fever virus infections. Antiviral Res. 1993 Sep;22(1):45-75.