iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2194

Identifiers

  • Canonical SMILES: 
    COc1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
  • IUPAC name: 
    4-[2-(4-hydroxy-3-methoxyphenyl)diazen-1-yl]-N-(pyridin-2-yl)benzene-1-sulfonamide
  • InChi: 
    InChI=1S/C18H16N4O4S/c1-26-17-12-14(7-10-16(17)23)21-20-13-5-8-15(9-6-13)27(24,25)22-18-4-2-3-11-19-18/h2-12,23H,1H3,(H,19,22)
  • InChiKey: 
    NNVWBPGOBVMGDY-UHFFFAOYSA-N

External links


136174615

External search

Bibliography (1)

Publication Name
Zhang Guangtao, Plotnikov Alexander N., Rusinova Elena, Shen Tong, Morohashi Keita, Joshua Jennifer, Zeng Lei, Mujtaba Shiraz, Ohlmeyer Michael, Zhou Ming-Ming. . Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains Journal of Medicinal Chemistry. Compound 50

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
0 0 0 0

Targets

PPI family Best activity Diseases MMoA
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 384.09 g/mol
HBA 8
HBD 2
HBA + HBD 10
AlogP 3.78
TPSA 110.44
RB 5
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle
Efficiencies: iPPI-DB biplot LE versus LLE
Summary
Bibliographic ressources Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 0 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
Ta Structure Name Drugbank ID
0.7068 Sulfasalazine DB00795
0.6887 Sulfapyridine DB00891
0.5441 Sulfamethoxypyridazine DB13773
0.5319 Sulfaethoxypyridazine DB11462
0.5246 Sulfameter DB06821
0.5245 ABT-751 DB12254
0.5197 Sulfaquinoxaline DB11464
0.5088 Sulfadiazine DB00359
0.5000 Sulfachlorpyridazine DB11461
0.4895 N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE DB07944
0.4833 Sulfaperin DB13320
0.4797 AMG-131 DB05490
0.4737 Sulfadoxine DB01299
0.4688 Sulfamethazine DB01582
0.4636 Sulfadimethoxine DB06150