Details of the Drug

General Information of Drug (ID: DMC10HG)

Drug Name

5-methyl-2-(phenylsulfonamido)benzoic acid

Synonyms

5-Methyl-2-[(phenylsulfonyl)amino]benzoic acid; 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID; 2-benzenesulfonamido-5-methylbenzoic acid; A41; 1yw7; sulfonamide compound, 4; AC1O0UU4; SCHEMBL2009251; CHEMBL378927; Anthranilic Acid Sulfonamide, 4; BDBM17477; MolPort-004-356-849; HMS3604F08; STK978137; ZINC14964411; AKOS000202786; MCULE-6409447208; DB07313; 138964-56-4; 2-(benzenesulfonamido)-5-methylbenzoic acid; A444148

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)

291.32

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C14H13NO4S
IUPAC Name: 2-(benzenesulfonamido)-5-methylbenzoic acid
Canonical SMILES: CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)
InChIKey: HXQLTRSIZRSFTR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6102684
DrugBank ID: DB07313
TTD ID: D07CWJ

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	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.