Details of the Drug

General Information of Drug (ID: DM41UYN)

Drug Name

2-(6-Methoxy-indole-1-sulfonyl)-benzoic acid

Synonyms

CHEMBL365508; 2-(6-Methoxy-indole-1-sulfonyl)-benzoic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

331.3

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H13NO5S
IUPAC Name: 2-(6-methoxyindol-1-yl)sulfonylbenzoic acid
Canonical SMILES: COC1=CC2=C(C=C1)C=CN2S(=O)(=O)C3=CC=CC=C3C(=O)O
InChI: InChI=1S/C16H13NO5S/c1-22-12-7-6-11-8-9-17(14(11)10-12)23(20,21)15-5-3-2-4-13(15)16(18)19/h2-10H,1H3,(H,18,19)
InChIKey: HQQRNJVZOJLXOO-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]

------------------------------------------------------------------------------------

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.