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]
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
ChEBI ID
CHEMBL256062
CAS Number
16082-64-7
TTD ID
D0E7FU
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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.