evocalcet   Click here for help

GtoPdb Ligand ID: 9042

Synonyms: KHK-7580 | MT-4580
PDB Ligand
Compound class: Synthetic organic
Comment: Evocalcet is an investigational calcium-sensing receptor (CASR) agonist, or calcimimetic. CASR is a G protein-coupled receptor.
This compound is claimed in patent US8362274 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 52.57
Molecular weight 374.2
XLogP 5.08
No. Lipinski's rules broken 1
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Canonical SMILES OC(=O)Cc1ccc(cc1)N1CCC(C1)NC(c1cccc2c1cccc2)C
Isomeric SMILES OC(=O)Cc1ccc(cc1)N1CC[C@@H](C1)N[C@@H](c1cccc2c1cccc2)C
InChI InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
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Summary of Clinical Use Click here for help
Evocalcet (KHK7580) is being evaluated in Phase 3 clinical trial for the treatment of hemodialysis patients with secondary hyperparathyroidism. Click here to link to ClinicalTrials.gov's full list of KHK7580 trials.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
CASR agonists act to suppress parathyroid hormone (PTH) production.