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]
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
ChEBI ID
CHEMBL209071
TTD ID
D00MUJ
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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.