Details of the Drug

General Information of Drug (ID: DM6BGJ9)

Drug Name
BFF-122
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Preclinical [1]
Schizophrenia 6A20 Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 364.4
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C17H21FN4O4
IUPAC Name
(2S)-6-(4-aminopiperazin-1-yl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxylic acid
Canonical SMILES
C[C@H]1COC2=C3N1CC(C(=O)C3=CC(=C2N4CCN(CC4)N)F)C(=O)O
InChI
InChI=1S/C17H21FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h6,9,11H,2-5,7-8,19H2,1H3,(H,24,25)/t9-,11?/m0/s1
InChIKey
SBYIJFJAUBGBOA-FTNKSUMCSA-N
Cross-matching ID
PubChem CID
102425126
TTD ID
DPQ4U3
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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 Tryptophan metabolism as a common therapeutic target in cancer, neurodegeneration and beyond. Nat Rev Drug Discov. 2019 May;18(5):379-401.