EVOCALCET

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Synonyms
Status
Molecule Category Free-form
UNII E58MLH082P

Structure

InChI Key RZNUIYPHQFXBAN-XLIONFOSSA-N
Smiles C[C@@H](N[C@H]1CCN(c2ccc(CC(=O)O)cc2)C1)c1cccc2ccccc12
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26N2O2
Molecular Weight 374.48
AlogP 4.4
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 52.57
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Calcium sensing receptor positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed

Target Conservation

Protein: Calcium sensing receptor
Description: Extracellular calcium-sensing receptor
Organism : Homo sapiens
P41180 ENSG00000036828

Cross References

Resources Reference
ChEMBL CHEMBL4297621
DrugBank DB12388
DrugCentral 5307
FDA SRS E58MLH082P
Guide to Pharmacology 9042
PDB H43
PubChem 71242808
SureChEMBL SCHEMBL14668291
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