iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1242

Identifiers

  • Canonical SMILES: 
    Cc1cccc(n1)-c1nc(C(O)=O)c(-c2cccc(Cl)c2)n1-c1cc(Cl)ccc1C
  • InChi: 
    InChI=1S/C23H17Cl2N3O2/c1-13-9-10-17(25)12-19(13)28-21(15-6-4-7-16(24)11-15)20(23(29)30)27-22(28)18-8-3-5-14(2)26-18/h3-12H,1-2H3,(H,29,30)
  • InChiKey: 
    IUJRZHJGDURMMO-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. 156

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 6.92 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 437.07 g/mol
HBA 5
HBD 1
HBA + HBD 6
AlogP 5.12
TPSA 68.01
RB 3
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 156 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 6.92
Ta Structure Name Drugbank ID
0.4566 Miransertib DB14982
0.4420 Ralimetinib DB11787
0.4404 Azeliragon DB12689
0.4361 Conivaptan DB00872
0.4324 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide DB03509
0.4215 Olmesartan DB00275
0.4198 N-6022 DB12206
0.4186 Telmisartan DB00966
0.4170 Flumazenil DB01205
0.4132 Linsitinib DB06075
0.4110 Iomazenil DB14971
0.4046 Cimicoxib DB05095
0.4036 2-phenyl-1H-imidazole-4-carboxylic acid DB07803
0.4000 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4000 Selonsertib DB14916