RONACALERET

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Synonyms
Status
Molecule Category Free-form
UNII DIH95YP7J3
EPA CompTox DTXSID60892347

Structure

InChI Key FQJISUPNMFRIFZ-HXUWFJFHSA-N
Smiles CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)cc(F)c1F
InChI
InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31F2NO4
Molecular Weight 447.52
AlogP 3.9
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 78.79
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Calcium sensing receptor antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family C G protein-coupled receptor Ion receptor (family C GPCR) Calcium sensing receptor Calcium sensing receptor
- 146-320 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 146 - - -
Rattus norvegicus
- 320 - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL1198855
DrugBank DB05255
FDA SRS DIH95YP7J3
Guide to Pharmacology 9473
PubChem 10345214
SureChEMBL SCHEMBL3737849
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