iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2195

Identifiers

  • Canonical SMILES: 
    Cc1cc(N=Nc2cccc(c2)S(=O)(=O)Nc2ccccn2)c(N)cc1O
  • IUPAC name: 
    3-[2-(2-amino-4-hydroxy-5-methylphenyl)diazen-1-yl]-N-(pyridin-2-yl)benzene-1-sulfonamide
  • InChi: 
    InChI=1S/C18H17N5O3S/c1-12-9-16(15(19)11-17(12)24)22-21-13-5-4-6-14(10-13)27(25,26)23-18-7-2-3-8-20-18/h2-11,24H,19H2,1H3,(H,20,23)
  • InChiKey: 
    JZTICAHMECMHKG-UHFFFAOYSA-N

External links


168317859

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 51

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 383.11 g/mol
HBA 8
HBD 4
HBA + HBD 12
AlogP 3.62
TPSA 127.23
RB 4
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
0.7612 Sulfasalazine DB00795
0.5932 Sulfapyridine DB00891
0.4899 N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE DB07944
0.4740 ABT-751 DB12254
0.4638 Sulfaquinoxaline DB11464
0.4610 Sulfaethoxypyridazine DB11462
0.4600 Sulfamethoxypyridazine DB13773
0.4496 Sulfaperin DB13320
0.4489 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide DB07056
0.4485 Sulfamethazine DB01582
0.4392 Sulfachlorpyridazine DB11461
0.4365 Sulfadiazine DB00359
0.4338 Sulfameter DB06821
0.4338 Sulfamerazine DB01581
0.4272 Elismetrep DB15287