iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 366

Identifiers

  • Canonical SMILES: 
    NC(=O)c1nc(CC2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1cccc(Cl)c1F
  • InChi: 
    InChI=1S/C23H21Cl2F2N3O/c24-15-7-4-8-18(20(15)27)30-19(11-13-5-2-1-3-6-13)29-21(23(28)31)22(30)14-9-10-17(26)16(25)12-14/h4,7-10,12-13H,1-3,5-6,11H2,(H2,28,31)
  • InChiKey: 
    LLWFQSZLYQRZED-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. 266

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 7.82 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 463.10 g/mol
HBA 4
HBD 2
HBA + HBD 6
AlogP 5.40
TPSA 60.91
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 266 MDM2
Q00987
Biochemical assay Time-Resolved FRET pIC50 (half maximal inhibitory concentration, -log10) 7.82
Ta Structure Name Drugbank ID
0.5207 Azeliragon DB12689
0.4508 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB02388
0.4440 Atorvastatin DB01076
0.4426 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4409 N-6022 DB12206
0.4364 Ralimetinib DB11787
0.4292 Olmesartan DB00275
0.4273 Vapitadine DB05738
0.4245 Flumazenil DB01205
0.4221 LY-2584702 DB12690
0.4204 Telmisartan DB00966
0.4190 PF-03463275 DB11993
0.4152 Gluco-Phenylimidazole DB02862
0.4138 Saprisartan DB01347
0.4132 Conivaptan DB00872