compound 56 [PMID: 8568816]   

GtoPdb Ligand ID: 5956

Synonyms: PD153035 Analog 56
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 56.27
Molecular weight 387.06
XLogP 4.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOc1cc2c(ncnc2cc1OCC)Nc1cccc(c1)Br
Isomeric SMILES CCOc1cc2c(ncnc2cc1OCC)Nc1cccc(c1)Br
InChI InChI=1S/C18H18BrN3O2/c1-3-23-16-9-14-15(10-17(16)24-4-2)20-11-21-18(14)22-13-7-5-6-12(19)8-13/h5-11H,3-4H2,1-2H3,(H,20,21,22)
InChI Key YXOXHAUUTIOBDA-UHFFFAOYSA-N
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
epidermal growth factor receptor Hs Inhibitor Inhibition 11.2 pIC50 - 2
pIC50 11.2 (IC50 6x10-12 M) [2]