Details of the Drug

General Information of Drug (ID: DMDGAHO)

Drug Name

2-(phenylsulfonamido)-5-propylbenzoic acid

Synonyms

2-benzenesulfonamido-5-propylbenzoic acid; sulfonamide compound, 7; SCHEMBL3984242; CHEMBL209071; BDBM17601; MolPort-009-343-156; ZINC14965014; AKOS034553679; MCULE-3140792066; Z738155172

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)

319.4

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H17NO4S
IUPAC Name: 2-(benzenesulfonamido)-5-propylbenzoic acid
Canonical SMILES: CCCC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C16H17NO4S/c1-2-6-12-9-10-15(14(11-12)16(18)19)17-22(20,21)13-7-4-3-5-8-13/h3-5,7-11,17H,2,6H2,1H3,(H,18,19)
InChIKey: LZDCSXYOKAIIJO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10018850
TTD ID: D00MUJ

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.