iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1508

Identifiers

  • Canonical SMILES: 
    OC(=O)c1nc(CC2CCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F
  • InChi: 
    InChI=1S/C22H18Cl2F2N2O2/c23-14-6-3-7-17(19(14)26)28-18(10-12-4-1-2-5-12)27-20(22(29)30)21(28)13-8-9-16(25)15(24)11-13/h3,6-9,11-12H,1-2,4-5,10H2,(H,29,30)
  • InChiKey: 
    PRSMWCYAGRRYIL-UHFFFAOYSA-N

External links


67032664

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. 259

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 8.42 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 450.07 g/mol
HBA 4
HBD 1
HBA + HBD 5
AlogP 3.79
TPSA 55.12
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 1 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
WO2011023677 259 MDM2
Q00987
Biochemical assay Time-Resolved FRET pIC50 (half maximal inhibitory concentration, -log10) 8.42
Ta Structure Name Drugbank ID
0.5429 Azeliragon DB12689
0.4864 Olmesartan DB00275
0.4542 Ralimetinib DB11787
0.4500 Losartan DB00678
0.4465 N-6022 DB12206
0.4449 LY-2584702 DB12690
0.4440 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB02388
0.4417 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4398 Gluco-Phenylimidazole DB02862
0.4372 Atorvastatin DB01076
0.4318 Telmisartan DB00966
0.4305 Cimicoxib DB05095
0.4141 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE DB08522
0.4118 Conivaptan DB00872
0.4115 Flumazenil DB01205