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
TTD ID
D09JPJ

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.