iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 23

Identifiers

  • Canonical SMILES: 
    COc1cccc(n1)-c1nc(C(O)=O)c(-c2ccc(F)c(Cl)c2)n1-c1cc(Cl)ccc1C
  • InChi: 
    InChI=1S/C23H16Cl2FN3O3/c1-12-6-8-14(24)11-18(12)29-21(13-7-9-16(26)15(25)10-13)20(23(30)31)28-22(29)17-4-3-5-19(27-17)32-2/h3-11H,1-2H3,(H,30,31)
  • InChiKey: 
    KONVKQXFIZORGX-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. 306

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 8.17 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 471.06 g/mol
HBA 6
HBD 1
HBA + HBD 7
AlogP 5.55
TPSA 77.24
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 306 MDM2
Q00987
Biochemical assay Time-Resolved FRET pIC50 (half maximal inhibitory concentration, -log10) 8.17
Ta Structure Name Drugbank ID
0.4557 Azeliragon DB12689
0.4508 Ralimetinib DB11787
0.4468 Cimicoxib DB05095
0.4163 Flumazenil DB01205
0.4111 Conivaptan DB00872
0.4058 Selonsertib DB14916
0.4056 Miransertib DB14982
0.4015 MK-1064 DB15028
0.4009 4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine DB08521
0.3924 Lorecivivint DB14883
0.3920 Olmesartan DB00275
0.3855 N-[4-(5-fluoro-6-methylpyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-yl]acetamide DB07152
0.3849 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.3840 Iomazenil DB14971
0.3830 Zolpidem DB00425