iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 890

Identifiers

  • Canonical SMILES: 
    Cc1cccc(c1)-c1nc(C(=O)NO)c(-c2cccc(Cl)c2)n1-c1cc(Cl)ccc1C
  • InChi: 
    InChI=1S/C24H19Cl2N3O2/c1-14-5-3-7-17(11-14)23-27-21(24(30)28-31)22(16-6-4-8-18(25)12-16)29(23)20-13-19(26)10-9-15(20)2/h3-13,31H,1-2H3,(H,28,30)
  • InChiKey: 
    LGJFOXJNHOFDRR-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. 54

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 6.55 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 451.09 g/mol
HBA 5
HBD 2
HBA + HBD 7
AlogP 5.72
TPSA 67.15
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 54 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 6.55
Ta Structure Name Drugbank ID
0.4459 Iomazenil DB14971
0.4293 AZD-7687 DB14949
0.4274 Flumazenil DB01205
0.4253 Azeliragon DB12689
0.4225 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide DB03509
0.4156 Conivaptan DB00872
0.4091 Cimicoxib DB05095
0.3917 N-6022 DB12206
0.3913 Miransertib DB14982
0.3849 Otenabant DB11745
0.3846 Telmisartan DB00966
0.3826 Olmesartan DB00275
0.3825 L-778123 DB07227
0.3803 Midazolam DB00683
0.3762 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE DB07607