Details of the Drug

General Information of Drug (ID: DMFBTM2)

Drug Name
2-(phenylsulfonamido)-1-naphthoic acid
Synonyms
1-Naphthalenecarboxylic acid, 2-[(phenylsulfonyl)amino]-; 677290-81-2; sulfonamide compound, 9; SCHEMBL3986500; CHEMBL377198; CTK1H6801; BDBM17603; DTXSID20471157; CXPIFTCBANXJNX-UHFFFAOYSA-N; AKOS030618475; 2-[(phenylsulfonyl)amino]-1-naphthoic acid; 2-benzenesulfonamidonaphthalene-1-carboxylic 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) 327.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H13NO4S
IUPAC Name
2-(benzenesulfonamido)naphthalene-1-carboxylic acid
Canonical SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3C=C2)C(=O)O
InChI
InChI=1S/C17H13NO4S/c19-17(20)16-14-9-5-4-6-12(14)10-11-15(16)18-23(21,22)13-7-2-1-3-8-13/h1-11,18H,(H,19,20)
InChIKey
CXPIFTCBANXJNX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11723962
ChEBI ID
CHEMBL377198
CAS Number
677290-81-2
TTD ID
D0I6RL
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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.