iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1175

Identifiers

  • Canonical SMILES: 
    CCOC(=O)c1nc(CC(C)(C)C)n(c1-c1ccc(F)c(Cl)c1)-c1cc(Cl)ccc1C
  • InChi: 
    InChI=1S/C24H25Cl2FN2O2/c1-6-31-23(30)21-22(15-8-10-18(27)17(26)11-15)29(20(28-21)13-24(3,4)5)19-12-16(25)9-7-14(19)2/h7-12H,6,13H2,1-5H3
  • InChiKey: 
    OBNJSJFNGXSEFL-UHFFFAOYSA-N

External links


67031943

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. 248

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 5.91 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 462.13 g/mol
HBA 4
HBD 0
HBA + HBD 4
AlogP 6.71
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 248 MDM2
Q00987
Biochemical assay Time-Resolved FRET pIC50 (half maximal inhibitory concentration, -log10) 5.91
Ta Structure Name Drugbank ID
0.5114 Azeliragon DB12689
0.5022 Flumazenil DB01205
0.4649 Olmesartan DB00275
0.4644 Iomazenil DB14971
0.4468 Ralimetinib DB11787
0.4389 N-6022 DB12206
0.4298 Cimicoxib DB05095
0.4292 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4286 Etomidate DB00292
0.4262 LY-2584702 DB12690
0.4257 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB02388
0.4218 ABP-700 DB15411
0.4196 Atorvastatin DB01076
0.4174 Losartan DB00678
0.4123 Telmisartan DB00966