plerixafor

Ligand id: 844

Name: plerixafor

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 4
Topological polar surface area 78.66
Molecular weight 502.45
XLogP 0.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
CXCR4 Hs Antagonist Antagonist 7.0 pKi - 5
pKi 7.0 [5]
ACKR3 Hs Agonist Agonist 6.8 pEC50 - 2,4
pEC50 6.8 [2,4]
CCR4 Hs Antagonist Antagonist 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.51x10-7 M) [1]
Ligand mentioned in the following text fields