iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2185

Identifiers

  • Canonical SMILES: 
    CC(C)c1cc(cc(C(C)C)c1O)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
  • IUPAC name: 
    4-{2-[4-hydroxy-3,5-bis(propan-2-yl)phenyl]diazen-1-yl}-N-(pyridin-2-yl)benzene-1-sulfonamide
  • InChi: 
    InChI=1S/C23H26N4O3S/c1-15(2)20-13-18(14-21(16(3)4)23(20)28)26-25-17-8-10-19(11-9-17)31(29,30)27-22-7-5-6-12-24-22/h5-16,28H,1-4H3,(H,24,27)
  • InChiKey: 
    IOJCEXBEZVPCCG-UHFFFAOYSA-N

External links


136174602

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 41

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 438.17 g/mol
HBA 7
HBD 2
HBA + HBD 9
AlogP 6.43
TPSA 101.21
RB 6
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
0.8015 Sulfasalazine DB00795
0.6348 Sulfapyridine DB00891
0.4960 Sulfaperin DB13320
0.4853 Sulfaquinoxaline DB11464
0.4836 Sulfadiazine DB00359
0.4826 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide DB07056
0.4812 Sulfamethazine DB01582
0.4800 N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE DB07944
0.4773 Sulfameter DB06821
0.4662 Sulfamerazine DB01581
0.4627 Elismetrep DB15287
0.4610 Sulfaethoxypyridazine DB11462
0.4589 Sulfachlorpyridazine DB11461
0.4551 ABT-751 DB12254
0.4507 Sulfabromomethazine DB11547