Details of the Drug

General Information of Drug (ID: DMXRYDL)

Drug Name

2-(5-Bromo-indole-1-sulfonyl)-benzoic acid

Synonyms

CHEMBL184005; 2-(5-Bromo-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)

380.2

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H10BrNO4S
IUPAC Name: 2-(5-bromoindol-1-yl)sulfonylbenzoic acid
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)N2C=CC3=C2C=CC(=C3)Br
InChI: InChI=1S/C15H10BrNO4S/c16-11-5-6-13-10(9-11)7-8-17(13)22(20,21)14-4-2-1-3-12(14)15(18)19/h1-9H,(H,18,19)
InChIKey: RGZDWZUMVMDEAG-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.