Details of the Drug

General Information of Drug (ID: DM0CDRP)

Drug Name
2-(4-fluorophenylsulfonamido)-1-naphthoic acid
Synonyms sulfonamide compound, 10; CHEMBL212006; SCHEMBL3982656; BDBM17604; 2-[(4-fluorobenzene)sulfonamido]naphthalene-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) 345.3
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H12FNO4S
IUPAC Name
2-[(4-fluorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
Canonical SMILES
C1=CC=C2C(=C1)C=CC(=C2C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H12FNO4S/c18-12-6-8-13(9-7-12)24(22,23)19-15-10-5-11-3-1-2-4-14(11)16(15)17(20)21/h1-10,19H,(H,20,21)
InChIKey
KIYWIXCUCALPGQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10427648
ChEBI ID
CHEMBL212006
TTD ID
D0R4KE
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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.