Details of the Drug

General Information of Drug (ID: DMI7DSM)

Drug Name

5-butyl-2-(phenylsulfonamido)benzoic acid

Synonyms

sulfonamide compound, 8; SCHEMBL3983649; CHEMBL425776; BDBM17602; 2-benzenesulfonamido-5-butylbenzoic 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)

333.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H19NO4S
IUPAC Name: 2-(benzenesulfonamido)-5-butylbenzoic acid
Canonical SMILES: CCCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C17H19NO4S/c1-2-3-7-13-10-11-16(15(12-13)17(19)20)18-23(21,22)14-8-5-4-6-9-14/h4-6,8-12,18H,2-3,7H2,1H3,(H,19,20)
InChIKey: GUFYXBDBRAROGG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Methionine aminopeptidase 2 (METAP2)	TTZL0OI	MAP2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3574-7.