Details of the Drug

General Information of Drug (ID: DMAQ6OM)

Drug Name

3,5-dimethyl-2-(phenylsulfonamido)benzoic acid

Synonyms

sulfonamide compound, 5; CHEMBL209317; SCHEMBL10116990; BDBM17599; AKOS012072515; 2-benzenesulfonamido-3,5-dimethylbenzoic 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)

305.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H15NO4S
IUPAC Name: 2-(benzenesulfonamido)-3,5-dimethylbenzoic acid
Canonical SMILES: CC1=CC(=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C
InChI: InChI=1S/C15H15NO4S/c1-10-8-11(2)14(13(9-10)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-9,16H,1-2H3,(H,17,18)
InChIKey: ORCGTMODRHXXRZ-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]

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

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.