Details of the Drug

General Information of Drug (ID: DMXKT6M)

Drug Name
4-[(METHYLSULFONYL)AMINO]BENZOIC ACID
Synonyms
4-(Methylsulfonamido)benzoic acid; 7151-76-0; 4-[(methylsulfonyl)amino]benzoic acid; 4-methanesulfonamidobenzoic acid; 4-Methanesulfonylamino-benzoic acid; 4-(METHANESULFONYLAMINO)BENZOIC ACID; Benzoic acid, 4-[(methylsulfonyl)amino]-; 4-(methanesulfonamido)benzoic acid; CHEMBL339996; SROHFTOYGFCJAF-UHFFFAOYSA-N; p-(Methylsulfonamido)benzoic acid; 2hds; methanesulfonamidobenzoicacid; AC1Q6VU0; AC1Q4GQ4; NCIOpen2_003463; Oprea1_337582; Oprea1_072870; SCHEMBL118340; AC1L5I58; 4-methylsulfonylaminobenzoic 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) 215.23
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C8H9NO4S
IUPAC Name
4-(methanesulfonamido)benzoic acid
Canonical SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKey
SROHFTOYGFCJAF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
250653
CAS Number
7151-76-0
UNII
UHN43WS7FF
DrugBank ID
DB07114
TTD ID
D0N5WV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU 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.