Details of the Drug

General Information of Drug (ID: DM0E9O1)

Drug Name

5-ethyl-2-(phenylsulfonamido)benzoic acid

Synonyms

Benzoic acid, 5-ethyl-2-[(phenylsulfonyl)amino]-; 677290-35-6; sulfonamide compound, 6; SCHEMBL3979169; CHEMBL377012; CTK1H6802; BDBM17600; DTXSID80439379; BUWBVEJQFXVJCT-UHFFFAOYSA-N; 2-benzenesulfonamido-5-ethylbenzoic acid; 5-ethyl-2-[(phenylsulfonyl)amino]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)

305.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H15NO4S
IUPAC Name: 2-(benzenesulfonamido)-5-ethylbenzoic acid
Canonical SMILES: CCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C15H15NO4S/c1-2-11-8-9-14(13(10-11)15(17)18)16-21(19,20)12-6-4-3-5-7-12/h3-10,16H,2H2,1H3,(H,17,18)
InChIKey: BUWBVEJQFXVJCT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10402833
CAS Number: 677290-35-6
TTD ID: D0S5GM

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)

MIA Detail

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.