Details of the Drug

General Information of Drug (ID: DMKFIEY)

Drug Name

2-(4-Fluoro-indole-1-sulfonyl)-benzoic acid

Synonyms

CHEMBL362888; 2-(4-Fluoro-indole-1-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)

319.3

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H10FNO4S
IUPAC Name: 2-(4-fluoroindol-1-yl)sulfonylbenzoic acid
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N2C=CC3=C2C=CC=C3F
InChI: InChI=1S/C15H10FNO4S/c16-12-5-3-6-13-10(12)8-9-17(13)22(20,21)14-7-2-1-4-11(14)15(18)19/h1-9H,(H,18,19)
InChIKey: YQOPLEXTOUMMNP-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]

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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.