Details of the Drug

General Information of Drug (ID: DM2J5AO)

Drug Name

R-1518

Synonyms

Levovirin prodrug, Roche

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C virus infection	1E51.1	Discontinued in Phase 1	[1]
------------------------------------------------------------------------------------

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

379.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C13H22ClN5O6
IUPAC Name: [(2S,3R,4S,5S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
Canonical SMILES: CC(C)[C@@H](C(=O)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC(=N2)C(=O)N)O)O)N.Cl
InChI: InChI=1S/C13H21N5O6.ClH/c1-5(2)7(14)13(22)23-3-6-8(19)9(20)12(24-6)18-4-16-11(17-18)10(15)21;/h4-9,12,19-20H,3,14H2,1-2H3,(H2,15,21);1H/t6-,7-,8-,9-,12-;/m0./s1
InChIKey: BZAMJGAXDMZZKX-JSNLFJDGSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase (IMPDH)	TTCAQMW	NOUNIPROTAC	Modulator	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800018979)
2	US patent application no. 2010,0092,479, Compositions and methods for treatment of viral diseases.