Details of the Drug

General Information of Drug (ID: DMESFTW)

Drug Name

2-amino-N-(quinolin-8-yl)benzenesulfonamide

Synonyms

2-Amino-N-quinolin-8-yl-benzenesulfonamide; 16082-64-7; CHEMBL256062; QBS; 2-amino-N-quinolin-8-ylbenzenesulfonamide; AC1LLN9A; Cambridge id 5175136; Oprea1_584159; CBDivE_007127; SCHEMBL460773; CTK4D0607; DTXSID90360049; NIOOKXAMJQVDGB-UHFFFAOYSA-N; ZINC758699; DNDI1417207; CCG-15219; BDBM50372507; MFCD00168987; AKOS000154013; NCGC00161683-02; NCGC00161683-01; NCGC00161683-04; NCGC00161683-03; 2-amino-n-quinoline-8-yl-benzenesulfonamide; AB00074880-01; 2-AMINO-N-QUINOLINE-8-YL-BENZENESULFONAM

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)

299.3

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C15H13N3O2S
IUPAC Name: 2-amino-N-quinolin-8-ylbenzenesulfonamide
Canonical SMILES: C1=CC=C(C(=C1)N)S(=O)(=O)NC2=CC=CC3=C2N=CC=C3
InChI: InChI=1S/C15H13N3O2S/c16-12-7-1-2-9-14(12)21(19,20)18-13-8-3-5-11-6-4-10-17-15(11)13/h1-10,18H,16H2
InChIKey: NIOOKXAMJQVDGB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1070159
CAS Number: 16082-64-7
TTD ID: D0E7FU

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.