iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 818

Identifiers

  • Canonical SMILES: 
    Cc1cccc(c1)-c1nc(C(O)=O)c(-c2cccc(Cl)c2)n1-c1cc(Cl)ccc1C
  • IUPAC name: 
    1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
  • InChi: 
    InChI=1S/C24H18Cl2N2O2/c1-14-5-3-7-17(11-14)23-27-21(24(29)30)22(16-6-4-8-18(25)12-16)28(23)20-13-19(26)10-9-15(20)2/h3-13H,1-2H3,(H,29,30)
  • InChiKey: 
    UYJZPBBJELZWKZ-UHFFFAOYSA-N

External links


50996417
CHEMBL3260812
2V8

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. 48

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 7.32 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 436.07 g/mol
HBA 4
HBD 1
HBA + HBD 5
AlogP 5.77
TPSA 55.12
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 48 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 7.32
Ta Structure Name Drugbank ID
0.4706 Azeliragon DB12689
0.4429 Olmesartan DB00275
0.4408 2-phenyl-1H-imidazole-4-carboxylic acid DB07803
0.4378 Conivaptan DB00872
0.4369 Flumazenil DB01205
0.4343 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide DB03509
0.4320 Cimicoxib DB05095
0.4305 Iomazenil DB14971
0.4279 N-6022 DB12206
0.4195 Telmisartan DB00966
0.4186 Miransertib DB14982
0.4107 Otenabant DB11745
0.4068 Etomidate DB00292
0.4062 TG100-115 DB05552
0.4046 Ralimetinib DB11787