Details of the Drug

General Information of Drug (ID: DMMV931)

Drug Name
5-chloro-N-(quinolin-8-yl)thiophene-2-sulfonamide
Synonyms
CHEMBL257446; 620103-77-7; 5-chloro-N-(quinolin-8-yl)thiophene-2-sulfonamide; AC1NGSHS; SCHEMBL13633877; CTK1I9417; DTXSID80406061; MolPort-003-263-222; ZINC6858682; BDBM50372504; AKOS001150619; MCULE-4753456414; NCGC00163030-02; NCGC00163030-01; 5-chloro-N-quinolin-8-ylthiophene-2-sulfonamide; 2-Thiophenesulfonamide, 5-chloro-N-8-quinolinyl-; CU-00000000281-1
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) 324.8
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C13H9ClN2O2S2
IUPAC Name
5-chloro-N-quinolin-8-ylthiophene-2-sulfonamide
Canonical SMILES
C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(S3)Cl)N=CC=C2
InChI
InChI=1S/C13H9ClN2O2S2/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
SNSCETRSXPPXIM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4729240
ChEBI ID
CHEMBL257446
CAS Number
620103-77-7
TTD ID
D02EHZ
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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.