iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1464

Identifiers

  • Canonical SMILES: 
    OC(=O)c1nc(C2CCCCC2)n(c1-c1cc(Cl)c(F)cc1F)-c1cccc(Cl)c1F
  • InChi: 
    InChI=1S/C22H17Cl2F3N2O2/c23-13-7-4-8-17(18(13)27)29-20(12-9-14(24)16(26)10-15(12)25)19(22(30)31)28-21(29)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2,(H,30,31)
  • InChiKey: 
    HSGZVPZGXAXHPX-UHFFFAOYSA-N

External links


67954190

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. 212

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 8.29 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 468.06 g/mol
HBA 4
HBD 1
HBA + HBD 5
AlogP 4.39
TPSA 55.12
RB 2
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 212 MDM2
Q00987
Biochemical assay Time-Resolved FRET pIC50 (half maximal inhibitory concentration, -log10) 8.29
Ta Structure Name Drugbank ID
0.5204 Azeliragon DB12689
0.4739 Olmesartan DB00275
0.4408 LY-2584702 DB12690
0.4391 Losartan DB00678
0.4315 Ralimetinib DB11787
0.4292 N-6022 DB12206
0.4286 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB02388
0.4280 Atorvastatin DB01076
0.4206 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4167 Gluco-Phenylimidazole DB02862
0.4145 Cimicoxib DB05095
0.4095 Telmisartan DB00966
0.4032 Conivaptan DB00872
0.4025 Navoximod DB15439
0.3976 Flumazenil DB01205