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]
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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
CAS Number: 620103-77-7
TTD ID: D02EHZ

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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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.