Details of the Drug

General Information of Drug (ID: DMFOA6R)

Drug Name

2-(3-Methyl-indole-1-sulfonyl)-benzoic acid

Synonyms

CHEMBL361251; 2-(3-Methyl-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)

315.3

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H13NO4S
IUPAC Name: 2-(3-methylindol-1-yl)sulfonylbenzoic acid
Canonical SMILES: CC1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3C(=O)O
InChI: InChI=1S/C16H13NO4S/c1-11-10-17(14-8-4-2-6-12(11)14)22(20,21)15-9-5-3-7-13(15)16(18)19/h2-10H,1H3,(H,18,19)
InChIKey: FBAOKNXTXGWCMO-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.