iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1563

Identifiers

  • Canonical SMILES: 
    Cc1cccc(c1)-c1nc(C(O)=O)c(-c2cc(Cl)ccc2O)n1-c1cc(Cl)ccc1C
  • InChi: 
    InChI=1S/C24H18Cl2N2O3/c1-13-4-3-5-15(10-13)23-27-21(24(30)31)22(18-11-16(25)8-9-20(18)29)28(23)19-12-17(26)7-6-14(19)2/h3-12,29H,1-2H3,(H,30,31)
  • InChiKey: 
    VXPATBDGWWQJBP-UHFFFAOYSA-N

External links


67954280

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. 66

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 6.70 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 452.07 g/mol
HBA 5
HBD 2
HBA + HBD 7
AlogP 5.66
TPSA 75.35
RB 2
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 66 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 6.70
Ta Structure Name Drugbank ID
0.4953 Azeliragon DB12689
0.4512 Cimicoxib DB05095
0.4480 Olmesartan DB00275
0.4237 Flumazenil DB01205
0.4181 Conivaptan DB00872
0.4177 Iomazenil DB14971
0.4140 N-6022 DB12206
0.4109 Deferasirox DB01609
0.4069 TG100-115 DB05552
0.4054 Losartan DB00678
0.4000 Telmisartan DB00966
0.3983 TAS-117 DB15054
0.3964 2-phenyl-1H-imidazole-4-carboxylic acid DB07803
0.3958 2-(4-Chlorophenyl)-5-Quinoxalinecarboxamide DB03509
0.3939 Miransertib DB14982