tacrolimus

Ligand id: 6784

Name: tacrolimus

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 178.36
Molecular weight 803.48
XLogP 3.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
FK506 binding protein 1A Inhibitor Inhibition 9.4 pKi - 1
pKi 9.4 (Ki 4x10-10 M) [1]