Details of the Drug

General Information of Drug (ID: DMA6P4J)

Drug Name

2-(Carbazole-9-sulfonyl)-benzoic acid

Synonyms

CHEMBL364141; 2-(Carbazole-9-sulfonyl)-benzoic acid

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)

351.4

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H13NO4S
IUPAC Name: 2-carbazol-9-ylsulfonylbenzoic acid
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4C(=O)O
InChI: InChI=1S/C19H13NO4S/c21-19(22)15-9-3-6-12-18(15)25(23,24)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-12H,(H,21,22)
InChIKey: WVHKYPINALNKJJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid-binding protein 4 (FABP4)	TTHWMFZ	FABP4_HUMAN	Inhibitor	[1]
Fatty acid-binding protein 5 (FABP5)	TTNT2S6	FABP5_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target. Bioorg Med Chem Lett. 2004 Sep 6;14(17):4445-8.