iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 2163

Identifiers

  • Canonical SMILES: 
    Oc1c(Cl)cc(cc1Cl)N=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
  • IUPAC name: 
    4-[2-(3,5-dichloro-4-hydroxyphenyl)diazen-1-yl]-N-(pyridin-2-yl)benzene-1-sulfonamide
  • InChi: 
    InChI=1S/C17H12Cl2N4O3S/c18-14-9-12(10-15(19)17(14)24)22-21-11-4-6-13(7-5-11)27(25,26)23-16-3-1-2-8-20-16/h1-10,24H,(H,20,23)
  • InChiKey: 
    GSVATAACOLMIIC-UHFFFAOYSA-N

External links


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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 19

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
2 0 0 0

Targets

PPI family Best activity Diseases MMoA
Bromodomain / Histone 5.90 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 422.00 g/mol
HBA 7
HBD 2
HBA + HBD 9
AlogP 5.15
TPSA 104.04
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 2 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1021/jm401334s Compound 19 BRD4
O60885 		H4
P62805 		Biochemical assay fluorescence anisotropy competition assay using fluorescein-labeled MS417 and BRD4 BrD1 pKi (inhibition constant, -log10) 5.90
10.1021/jm401334s Compound 19 BRD4
O60885 		H4
P62805 		Biochemical assay fluorescence anisotropy competition assay using fluorescein-labeled MS417 and BRD4 BrD2 pKi (inhibition constant, -log10) 5.31
Ta Structure Name Drugbank ID
0.7068 Sulfasalazine DB00795
0.6887 Sulfapyridine DB00891
0.5454 Sulfachlorpyridazine DB11461
0.5441 Chlorsulfaquinoxaline DB12921
0.5318 Sulfaquinoxaline DB11464
0.5315 AMG-131 DB05490
0.5088 Sulfadiazine DB00359
0.5000 Sulfameter DB06821
0.4894 Sulfamethoxypyridazine DB13773
0.4833 Sulfaperin DB13320
0.4812 Sulfabromomethazine DB11547
0.4803 Sulfamethazine DB01582
0.4794 Sulfaethoxypyridazine DB11462
0.4730 2-(6-{[(3-chloro-2-methylphenyl)sulfonyl]amino}pyridin-2-yl)-N,N-diethylacetamide DB07056
0.4730 ABT-751 DB12254