iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 915

Identifiers

  • Canonical SMILES: 
    CNC(=O)c1nc(-c2ccccc2)n(c1-c1cccc(Cl)c1)-c1cccc(Cl)c1
  • IUPAC name: 
    1,5-bis(3-chlorophenyl)-N-methyl-2-phenylimidazole-4-carboxamide
  • InChi: 
    InChI=1S/C23H17Cl2N3O/c1-26-23(29)20-21(16-9-5-10-17(24)13-16)28(19-12-6-11-18(25)14-19)22(27-20)15-7-3-2-4-8-15/h2-14H,1H3,(H,26,29)
  • InChiKey: 
    KXXHNNPNEGWABI-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. 14

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 5.63 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 421.07 g/mol
HBA 4
HBD 1
HBA + HBD 5
AlogP 5.24
TPSA 46.92
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 14 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 5.63
Ta Structure Name Drugbank ID
0.4636 Flumazenil DB01205
0.4570 Iomazenil DB14971
0.4546 L-778123 DB07227
0.4516 Conivaptan DB00872
0.4498 Azeliragon DB12689
0.4415 AZD-7687 DB14949
0.4339 PF-03463275 DB11993
0.4270 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide DB03509
0.4190 Cimicoxib DB05095
0.4022 ONT-093 DB14069
0.4000 Miransertib DB14982
0.3990 Basimglurant DB11833
0.3942 N-6022 DB12206
0.3936 4-[4-(4-Fluorophenyl)-2-[4-[(R)-methylsulfinyl]phenyl]-1H-imidazol-5-yl]pyridine DB08521
0.3930 Otenabant DB11745