Ligand id: 9042

Name: evocalcet

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 52.57
Molecular weight 374.2
XLogP 6.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Bioactivity Comments
Peer reviewed, freely accessible data supporting evolacet's molecular interaction with the CASR is not available. US8362274 only provides EC50 data for a few of the claimed compounds, but not for this specific example (3.008) [1]. Given the data in the patent, it is likely evocalcet's EC50 will be in the mid nanomolar range.
Selectivity at GPCRs
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Target Sp. Type Action Affinity Units Concentration range (M) Reference
CaS receptor Hs Agonist Agonist - - - 1