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]
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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
CAS Number: 677290-81-2
TTD ID: D0I6RL

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.