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]
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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

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)

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.