iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2184

Identifiers

  • Canonical SMILES: 
    CC(C)(C)c1cc(ccc1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
  • IUPAC name: 
    4-[2-(3-tert-butyl-4-hydroxyphenyl)diazen-1-yl]-N-(pyridin-2-yl)benzene-1-sulfonamide
  • InChi: 
    InChI=1S/C21H22N4O3S/c1-21(2,3)18-14-16(9-12-19(18)26)24-23-15-7-10-17(11-8-15)29(27,28)25-20-6-4-5-13-22-20/h4-14,26H,1-3H3,(H,22,25)
  • InChiKey: 
    GHJZVYRLWMOWDD-UHFFFAOYSA-N

External links


136174613

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 40

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 410.14 g/mol
HBA 7
HBD 2
HBA + HBD 9
AlogP 5.49
TPSA 101.21
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
0.8062 Sulfasalazine DB00795
0.6518 Sulfapyridine DB00891
0.4962 Sulfaquinoxaline DB11464
0.4959 Sulfaperin DB13320
0.4911 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide DB07056
0.4833 Sulfadiazine DB00359
0.4809 Sulfamethazine DB01582
0.4797 N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE DB07944
0.4769 Sulfameter DB06821
0.4685 Sulfachlorpyridazine DB11461
0.4656 Sulfamerazine DB01581
0.4623 Elismetrep DB15287
0.4605 Sulfaethoxypyridazine DB11462
0.4595 Sulfamethoxypyridazine DB13773
0.4546 ABT-751 DB12254