iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 23

Identifiers

  • Canonical SMILES:
    COc1cccc(n1)-c1nc(C(O)=O)c(-c2ccc(F)c(Cl)c2)n1-c1cc(Cl)ccc1C
  • InChi:
    InChI=1S/C23H16Cl2FN3O3/c1-12-6-8-14(24)11-18(12)29-21(13-7-9-16(26)15(25)10-13)20(23(30)31)28-22(29)17-4-3-5-19(27-17)32-2/h3-11H,1-2H3,(H,30,31)
  • InChiKey:
    KONVKQXFIZORGX-UHFFFAOYSA-N

External links


67032159

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. 306

Pharmacological data

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

Targets

PPI family Best activity Diseases MMoA
MDM2-Like / P53 8.17 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 471.06 g/mol
HBA 6
HBD 1
HBA + HBD 7
AlogP 5.55
TPSA 77.24
RB 4
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle