neratinib

Ligand id: 5686

Name: neratinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 112.4
Molecular weight 556.2
XLogP 4.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Large-scale screening data

DiscoveRx KINOMEscan® screen
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
http://www.discoverx.com/services/drug-discovery-development-services/kinase-profiling/kinomescan
Reference: 1,4

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
epidermal growth factor receptor EGFR(G719C) Hs Inhibitor Inhibition 9.4 pKd
epidermal growth factor receptor EGFR(L861Q) Hs Inhibitor Inhibition 9.4 pKd
epidermal growth factor receptor EGFR(L747-E749del, A750P) Hs Inhibitor Inhibition 9.2 pKd
epidermal growth factor receptor EGFR(S752-I759del) Hs Inhibitor Inhibition 9.2 pKd
mitogen-activated protein kinase kinase kinase kinase 5 MAP4K5 Hs Inhibitor Inhibition 9.2 pKd
epidermal growth factor receptor EGFR(L858R) Hs Inhibitor Inhibition 9.2 pKd
epidermal growth factor receptor EGFR(G719S) Hs Inhibitor Inhibition 9.0 pKd
epidermal growth factor receptor EGFR(L747-S752del, P753S) Hs Inhibitor Inhibition 9.0 pKd
epidermal growth factor receptor EGFR(L747-T751del,Sins) Hs Inhibitor Inhibition 9.0 pKd
epidermal growth factor receptor EGFR Hs Inhibitor Inhibition 9.0 pKd
Displaying the top 10 targets  View all targets in screen »