iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1042

Identifiers

  • Canonical SMILES: 
    CCOC(=O)c1nc(CC2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F
  • InChi: 
    InChI=1S/C25H24Cl2F2N2O2/c1-2-33-25(32)23-24(16-11-12-19(28)18(27)14-16)31(20-10-6-9-17(26)22(20)29)21(30-23)13-15-7-4-3-5-8-15/h6,9-12,14-15H,2-5,7-8,13H2,1H3
  • InChiKey: 
    VXHVMAGMTBHEMU-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. 263

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 6.80 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 492.12 g/mol
HBA 4
HBD 0
HBA + HBD 4
AlogP 6.64
TPSA 44.12
RB 6
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 263 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 6.80
Ta Structure Name Drugbank ID
0.5134 Azeliragon DB12689
0.4612 Flumazenil DB01205
0.4553 Olmesartan DB00275
0.4440 Ralimetinib DB11787
0.4298 N-6022 DB12206
0.4291 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB02388
0.4286 Atorvastatin DB01076
0.4263 Iomazenil DB14971
0.4257 Etomidate DB00292
0.4213 Losartan DB00678
0.4213 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4194 ABP-700 DB15411
0.4183 LY-2584702 DB12690
0.4163 Telmisartan DB00966
0.4113 Gluco-Phenylimidazole DB02862