iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1471

Identifiers

  • Canonical SMILES: 
    Nc1cccc(c1)-c1cc(C(O)=O)c(-c2cccc(Cl)c2)n1-c1cccc(Cl)c1F
  • InChi: 
    InChI=1S/C23H15Cl2FN2O2/c24-15-6-1-5-14(10-15)22-17(23(29)30)12-20(13-4-2-7-16(27)11-13)28(22)19-9-3-8-18(25)21(19)26/h1-12H,27H2,(H,29,30)
  • InChiKey: 
    UCDNNGNUVQOCEA-UHFFFAOYSA-N

External links


67954327

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. 413

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 7.01 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 440.05 g/mol
HBA 4
HBD 3
HBA + HBD 7
AlogP 4.60
TPSA 68.25
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 413 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 7.01
Ta Structure Name Drugbank ID
0.5059 Apricoxib DB12378
0.4969 Brequinar Analog DB03480
0.4938 Brequinar DB03523
0.4583 Telmisartan DB00966
0.4546 Atorvastatin DB01076
0.4513 2,3-Dicarboxy-4-(2-Chloro-Phenyl)-1-Ethyl-5-Isopropoxycarbonyl-6-Methyl-Pyridinium DB04055
0.4500 2,3-diphenyl-1H-indole-7-carboxylic acid DB08709
0.4495 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DB07728
0.4461 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE DB08358
0.4444 GSK-376501 DB12654
0.4420 Pipendoxifene DB05414
0.4375 N-6022 DB12206
0.4375 Aleplasinin DB12635
0.4372 Bazedoxifene DB06401
0.4355 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid DB06955