iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 188

Identifiers

  • Canonical SMILES: 
    Cc1ccc(Cl)cc1-n1c(cc(C(O)=O)c1-c1cccc(Cl)c1)-c1ccccc1
  • InChi: 
    InChI=1S/C24H17Cl2NO2/c1-15-10-11-19(26)13-21(15)27-22(16-6-3-2-4-7-16)14-20(24(28)29)23(27)17-8-5-9-18(25)12-17/h2-14H,1H3,(H,28,29)
  • InChiKey: 
    OQJJRHRRBNFMKE-UHFFFAOYSA-N

External links


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External search

Bibliography (1)

Publication Name
Guido Bold, Pascal Furet, François GESSIER, Joerg Kallen, Lisztwan Joanna Hergovich, Keiichi Masuya, Andrea Vaupel, Novartis Ag. . Tetra-substituted heteroaryl compounds and their use as mdm2 and/or mdm4 modulators None. 409

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 0 0 0

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 6.82 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 421.06 g/mol
HBA 3
HBD 1
HBA + HBD 4
AlogP 6.48
TPSA 42.23
RB 3
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 1 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
WO2011023677 409 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 6.82
Ta Structure Name Drugbank ID
0.5342 Apricoxib DB12378
0.4744 Brequinar DB03523
0.4728 Telmisartan DB00966
0.4680 Brequinar Analog DB03480
0.4671 2,3-diphenyl-1H-indole-7-carboxylic acid DB08709
0.4670 N-6022 DB12206
0.4652 2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium DB04055
0.4576 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid DB06955
0.4566 Pipendoxifene DB05414
0.4539 Cinchophen DB13551
0.4524 Aleplasinin DB12635
0.4514 Bazedoxifene DB06401
0.4503 GSK-376501 DB12654
0.4479 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DB07728
0.4472 Esaxerenone DB15207