General Information of Drug (ID: DMJO3B1)

Drug Name
N'-(phenylsulfonyl)benzofuran-2-carbohydrazide
Synonyms CHEMBL205220; SCHEMBL6240233; AMGAILKMHSFVNJ-UHFFFAOYSA-N; BDBM50172929; N''-(phenylsulfonyl)benzofuran-2-carbohydrazide; Benzofuran-2-carboxylic acid 2-(phenylsulfonyl)hydrazide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 316.3
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H12N2O4S
IUPAC Name
N'-(benzenesulfonyl)-1-benzofuran-2-carbohydrazide
Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C15H12N2O4S/c18-15(14-10-11-6-4-5-9-13(11)21-14)16-17-22(19,20)12-7-2-1-3-8-12/h1-10,17H,(H,16,18)
InChIKey
AMGAILKMHSFVNJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9879950
TTD ID
D0AW6C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Branched-chain-amino-acid transaminase 2 (BCAT2) TTF9OQ6 BCAT2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases. Bioorg Med Chem Lett. 2006 May 1;16(9):2337-40.