Details of the Drug

General Information of Drug (ID: DMRN5F4)

Drug Name
US8933095, 16
Synonyms CHEMBL2347109; SCHEMBL15493583; BDBM50432200; US8933095, 16
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 244.25
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H12N4O2
IUPAC Name
(6S)-6-amino-4-hydroxy-2-phenyl-6,7-dihydropyrazolo[4,3-b]pyridin-5-one
Canonical SMILES
C1[C@@H](C(=O)N(C2=CN(N=C21)C3=CC=CC=C3)O)N
InChI
InChI=1S/C12H12N4O2/c13-9-6-10-11(16(18)12(9)17)7-15(14-10)8-4-2-1-3-5-8/h1-5,7,9,18H,6,13H2/t9-/m0/s1
InChIKey
LHLQHHDRLPOVCF-VIFPVBQESA-N
Cross-matching ID
PubChem CID
71717745
ChEBI ID
CHEMBL2347109
TTD ID
D09JPJ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Kynurenine oxoglutarate transaminase II (AADAT) TTT3IXG AADAT_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 KAT II inhibitors. US8933095.