RONACALERET

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DIH95YP7J3

Structure
InChI Key FQJISUPNMFRIFZ-HXUWFJFHSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Calcium sensing receptor 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
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Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoporosis 2 D010024 ClinicalTrials
Fractures, Bone 2 D050723 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 753449-67-1
ChEMBL CHEMBL1198855
DrugBank DB05255
EPA CompTox DTXSID60892347
FDA SRS DIH95YP7J3
Guide to Pharmacology 9473
PubChem 10345214
SureChEMBL SCHEMBL3737849
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