Details of the Drug

General Information of Drug (ID: DM37T5L)

Drug Name
5-bromo-N-(quinolin-8-yl)thiophene-2-sulfonamide
Synonyms
5-bromo-N-quinolin-8-ylthiophene-2-sulfonamide; 5-bromo-N-(quinolin-8-yl)thiophene-2-sulfonamide; 620103-87-9; CHEMBL401504; AC1M3N93; SCHEMBL11995751; CTK5I7875; MolPort-000-693-109; ZINC2888883; ALBB-010070; STK506180; BDBM50372503; BBL018066; AKOS001440266; MCULE-3903306629; NCGC00161700-01; TR-061560; TR-039409; R9130; 2-Thiophenesulfonamide, 5-bromo-N-8-quinolinyl-
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) 369.3
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C13H9BrN2O2S2
IUPAC Name
5-bromo-N-quinolin-8-ylthiophene-2-sulfonamide
Canonical SMILES
C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(S3)Br)N=CC=C2
InChI
InChI=1S/C13H9BrN2O2S2/c14-11-6-7-12(19-11)20(17,18)16-10-5-1-3-9-4-2-8-15-13(9)10/h1-8,16H
InChIKey
BWZPDZRPJIBWAU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2240993
ChEBI ID
CHEMBL401504
TTD ID
D04VQM
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nuclear factor NF-kappa-B (NFKB) TTSXVID NFKB1_HUMAN ; NFKB2_HUMAN ; TF65_HUMAN ; RELB_HUMAN ; REL_HUMAN Inhibitor [1]
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References

1 Identification of N-(quinolin-8-yl)benzenesulfonamides as agents capable of down-regulating NFkappaB activity within two separate high-throughput s... Bioorg Med Chem Lett. 2008 Jan 1;18(1):329-35.