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]
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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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.