Details of the Drug

General Information of Drug (ID: DM4WVSB)

Drug Name
5-bromo-2-(4-chlorophenylsulfonamido)benzoic acid
Synonyms
5-bromo-2-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid; AC1LLKZK; BAS 00347593; sulfonamide compound, 1; CBDivE_004908; SCHEMBL5925257; CHEMBL212522; BDBM17595; MolPort-001-926-487; ZINC754636; HMS3604C20; STL325205; AKOS000541754; DB07309; MCULE-4831129771; 107143-69-1; ST50224787; EU-0033636; SR-01000389963; A193400; 5-bromo-2-(4-chlorobenzenesulfonamido)benzoic acid; SR-01000389963-1; 5-bromo-2-[(4-chlorobenzene)sulfonamido]benzoic acid; 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic 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) 390.64
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
C13H9BrClNO4S
IUPAC Name
5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid
Canonical SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=C(C=C(C=C2)Br)C(=O)O)Cl
InChI
InChI=1S/C13H9BrClNO4S/c14-8-1-6-12(11(7-8)13(17)18)16-21(19,20)10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18)
InChIKey
JDVLYAYDIMUAAC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1069140
DrugBank ID
DB07309
TTD ID
D0K7PS

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 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.