erlotinib

Ligand id: 4920

Name: erlotinib

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: erlotinib

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

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
CYP3A4 3
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
epidermal growth factor receptor Inhibitor Inhibition 9.2 pKd - 2
pKd 9.2 (Kd 6.7x10-10 M) [2]
epidermal growth factor receptor Inhibitor Inhibition 9.0 pIC50 - 7
pIC50 9.0 (IC50 1x10-9 M) [7]
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
OATP2B1 Inhibitor Inhibition 6.3 pKi - 5
pKi 6.3 (Ki 5.3x10-7 M) [5]
Ligand mentioned in the following text fields