iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1226

Identifiers

  • Canonical SMILES: 
    Clc1cccc(c1)-c1c(nc(-c2ccccc2)n1-c1cccc(Cl)c1)C(=O)NCCN1CCOCC1
  • IUPAC name: 
    1,5-bis(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-2-phenylimidazole-4-carboxamide
  • InChi: 
    InChI=1S/C28H26Cl2N4O2/c29-22-9-4-8-21(18-22)26-25(28(35)31-12-13-33-14-16-36-17-15-33)32-27(20-6-2-1-3-7-20)34(26)24-11-5-10-23(30)19-24/h1-11,18-19H,12-17H2,(H,31,35)
  • InChiKey: 
    HZKJGUYPPGGGEC-UHFFFAOYSA-N

External links


50996418

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. 13

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 5.49 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 520.14 g/mol
HBA 6
HBD 1
HBA + HBD 7
AlogP 4.87
TPSA 59.39
RB 7
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 13 MDM2
Q00987
Biochemical assay Fluorescence Polarization pIC50 (half maximal inhibitory concentration, -log10) 5.49
Ta Structure Name Drugbank ID
0.4811 L-778123 DB07227
0.4808 Flumazenil DB01205
0.4684 Iomazenil DB14971
0.4511 Conivaptan DB00872
0.4248 SRT-2104 DB12186
0.4242 Azeliragon DB12689
0.4160 Serabelisib DB14935
0.4143 PF-03463275 DB11993
0.4120 Vicriviroc DB06652
0.4077 INCB-9471 DB12960
0.4026 Cimicoxib DB05095
0.4024 Eluxadoline DB09272
0.4014 Velpatasvir DB11613
0.4000 Delanzomib DB11956
0.3945 GDC-0349 DB13072