Details of the Drug

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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.