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]
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
UNII
BQ6W7H7DKV
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]
Molecular Interaction Atlas (MIA) 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.