iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1235

Identifiers

  • Canonical SMILES: 
    Cc1ccc(cc1C)-c1nc(-c2nn[nH]n2)c(-c2cccc(Cl)c2)n1-c1cc(Cl)ccc1C
  • IUPAC name: 
    5-[1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(3,4-dimethylphenyl)imidazol-4-yl]-2H-tetrazole
  • InChi: 
    InChI=1S/C25H20Cl2N6/c1-14-7-9-18(11-16(14)3)25-28-22(24-29-31-32-30-24)23(17-5-4-6-19(26)12-17)33(25)21-13-20(27)10-8-15(21)2/h4-13H,1-3H3,(H,29,30,31,32)
  • InChiKey: 
    YMXDNHQKJGJSQW-UHFFFAOYSA-N

External links


50996240

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. 2

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 6.46 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 474.11 g/mol
HBA 6
HBD 1
HBA + HBD 7
AlogP 8.08
TPSA 72.28
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 2 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 6.46
Ta Structure Name Drugbank ID
0.4806 Azeliragon DB12689
0.4354 Cimicoxib DB05095
0.4218 Losartan DB00678
0.4106 N-6022 DB12206
0.4069 TAS-117 DB15054
0.4034 Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB03084
0.4027 Miransertib DB14982
0.4000 Cyclohexyl-{4-[5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine DB02388
0.3961 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine DB08076
0.3937 Olmesartan DB00275
0.3904 ONT-093 DB14069
0.3894 Ralimetinib DB11787
0.3832 Telmisartan DB00966
0.3793 Forasartan DB01342
0.3771 4-[5-[2-(1-Phenyl-Ethylamino)-Pyrimidin-4-Yl]-1-Methyl-4-(3-Trifluoromethylphenyl)-1h-Imidazol-2-Yl]-Piperidine DB01761