ronacaleret   Click here for help

GtoPdb Ligand ID: 9473

Synonyms: SB-751689
Compound class: Synthetic organic
Comment: Calcium sensing receptor negative allosteric modulator
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 78.79
Molecular weight 447.22
XLogP 4.4
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES OC(COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C
Isomeric SMILES O[C@@H](COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]-4,5-difluorophenyl]propanoic acid
International Nonproprietary Names Click here for help
INN number INN
8809 ronacaleret
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand ronacaleret
Other databases
GtoPdb PubChem SID 329968413
PubChem CID 10345214
Search Google for chemical match using the InChIKey FQJISUPNMFRIFZ-HXUWFJFHSA-N
Search Google for chemicals with the same backbone FQJISUPNMFRIFZ
Search PubMed clinical trials ronacaleret
Search PubMed titles ronacaleret
Search PubMed titles/abstracts ronacaleret
UniChem Compound Search for chemical match using the InChIKey FQJISUPNMFRIFZ-HXUWFJFHSA-N
UniChem Connectivity Search for chemical match using the InChIKey FQJISUPNMFRIFZ-HXUWFJFHSA-N