Details of the Drug

General Information of Drug (ID: DM7O1F3)

Drug Name

N-(quinolin-8-yl)thiophene-2-sulfonamide

Synonyms

CHEMBL257234; N-(quinolin-8-yl)thiophene-2-sulfonamide; AC1LH19W; Oprea1_700618; SCHEMBL7190921; MolPort-003-066-216; ZINC353084; BDBM50372518; AKOS001422726; N-quinolin-8-ylthiophene-2-sulfonamide; MCULE-3746564892; N-(8-Quinolyl)-2-thiophenesulfonamide; NCGC00161717-01; SR-01000012975; CU-00000000139-1; SR-01000012975-1; Z115639124

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)

290.4

Logarithm of the Partition Coefficient (xlogp)

2.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C13H10N2O2S2
IUPAC Name: N-quinolin-8-ylthiophene-2-sulfonamide
Canonical SMILES: C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=CS3)N=CC=C2
InChI: InChI=1S/C13H10N2O2S2/c16-19(17,12-7-3-9-18-12)15-11-6-1-4-10-5-2-8-14-13(10)11/h1-9,15H
InChIKey: CPSRVVXBTZFZPM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 830459
TTD ID: D0X8OL

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.