erlotinib

Ligand id: 4920

Name: erlotinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 74.73
Molecular weight 393.17
XLogP 3.14
No. Lipinski's rules broken 0

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: 2,6

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
epidermal growth factor receptor EGFR(L747-T751del,Sins) Hs Inhibitor Inhibition 9.5 pKd
epidermal growth factor receptor EGFR(L747-S752del, P753S) Hs Inhibitor Inhibition 9.3 pKd
epidermal growth factor receptor EGFR(E746-A750del) Hs Inhibitor Inhibition 9.3 pKd
epidermal growth factor receptor EGFR(G719S) Hs Inhibitor Inhibition 9.3 pKd
epidermal growth factor receptor EGFR(L747-E749del, A750P) Hs Inhibitor Inhibition 9.3 pKd
epidermal growth factor receptor EGFR Hs Inhibitor Inhibition 9.2 pKd
epidermal growth factor receptor EGFR(G719C) Hs Inhibitor Inhibition 9.1 pKd
epidermal growth factor receptor EGFR(L858R) Hs Inhibitor Inhibition 9.0 pKd
epidermal growth factor receptor EGFR(L861Q) Hs Inhibitor Inhibition 8.9 pKd
epidermal growth factor receptor EGFR(S752-I759del) Hs Inhibitor Inhibition 8.8 pKd
Displaying the top 10 targets  View all targets in screen »
EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


Reference: 1,4

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
epidermal growth factor receptor EGFR/EGFR Hs Inhibitor Inhibition 4.2
serine/threonine kinase 10 LOK/LOK(STK10) Hs Inhibitor Inhibition 20.3
ABL proto-oncogene 2, non-receptor tyrosine kinase Arg/ABL2(ARG) Hs Inhibitor Inhibition 33.0
EPH receptor A6 nd/EPHA6 Hs Inhibitor Inhibition 40.4
fms related tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 40.7
STE20 like kinase nd/SLK(STK2) Hs Inhibitor Inhibition 42.0
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 48.6
ABL proto-oncogene 1, non-receptor tyrosine kinase Abl/ABL1 Hs Inhibitor Inhibition 52.3
erb-b2 receptor tyrosine kinase 2 nd/ERBB2(HER2) Hs Inhibitor Inhibition 52.8
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 57.9
Displaying the top 10 targets  View all targets in screen »