iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1123

Identifiers

  • Canonical SMILES: 
    CC(C)Cc1nc(C(O)=O)c(-c2cccc(Cl)c2)n1-c1cccc(Cl)c1
  • InChi: 
    InChI=1S/C20H18Cl2N2O2/c1-12(2)9-17-23-18(20(25)26)19(13-5-3-6-14(21)10-13)24(17)16-8-4-7-15(22)11-16/h3-8,10-12H,9H2,1-2H3,(H,25,26)
  • InChiKey: 
    NFMWGGXHBIXTQH-UHFFFAOYSA-N

External links


67954568

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. 93

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 5.76 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 388.07 g/mol
HBA 4
HBD 1
HBA + HBD 5
AlogP 3.22
TPSA 55.12
RB 5
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 93 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 5.76
Ta Structure Name Drugbank ID
0.5654 Azeliragon DB12689
0.5252 Olmesartan DB00275
0.4742 N-6022 DB12206
0.4627 Losartan DB00678
0.4591 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4550 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB02388
0.4500 Telmisartan DB00966
0.4372 Gluco-Phenylimidazole DB02862
0.4342 Cimicoxib DB05095
0.4300 Linsitinib DB06075
0.4194 Ralimetinib DB11787
0.4178 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine DB01761
0.4136 Conivaptan DB00872
0.4107 LY-2584702 DB12690
0.4071 Flumazenil DB01205