Details of the Drug

General Information of Drug (ID: DMA3FZR)

Drug Name
Carbodine
Synonyms
Carbocyclic cytidine; 4-amino-1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one; 71184-20-8; (-)-Carbodine; (+/-)-Carbodine; AC1LA1FO; C-ARC-C; SCHEMBL3333453; CHEMBL1089302; 2(1H)-Pyrimidinone, 4-amino-1-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-, (2:1),(1alpha,2beta,3beta, 4alpha)-(+/-)-
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 (mw) 241.24
Logarithm of the Partition Coefficient (xlogp) -2.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H15N3O4
IUPAC Name
4-amino-1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
Canonical SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC(=NC2=O)N)O)O)CO
InChI
InChI=1S/C10H15N3O4/c11-7-1-2-13(10(17)12-7)6-3-5(4-14)8(15)9(6)16/h1-2,5-6,8-9,14-16H,3-4H2,(H2,11,12,17)/t5-,6-,8-,9+/m1/s1
InChIKey
UAZJPMMKWBPACD-GCXDCGAKSA-N
Cross-matching ID
PubChem CID
459903
TTD ID
D0B3MG
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Potent activity of 5-fluoro-2'-deoxyuridine and related compounds against thymidine kinase-deficient (TK-) herpes simplex virus: targeted at thymidylate synthase. Mol Pharmacol. 1987 Aug;32(1):286-92.