cinacalcet   

GtoPdb Ligand ID: 3308

Synonyms: AMG-073 | Mimpara® | Sensipar®
cinacalcet is an approved drug (EMA & FDA (2004))
Compound class: Synthetic organic
Comment: Cinacalcet is a positive allosteric activator of the calcium-sensing receptor (CaSR), thus improving the effect of calcium on tissues expressing this receptor.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 12.03
Molecular weight 357.17
XLogP 6.48
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CC(c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F
Isomeric SMILES C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F
InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
InChI Key VDHAWDNDOKGFTD-MRXNPFEDSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2004))
IUPAC Name
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
International Nonproprietary Names
INN number INN
8287 cinacalcet
Synonyms
AMG-073 | Mimpara® | Sensipar®
Comments
Cinacalcet is a positive allosteric activator of the calcium-sensing receptor (CaSR), thus improving the effect of calcium on tissues expressing this receptor.
Database Links
CAS Registry No. 226256-56-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1201284
DrugBank Ligand DB01012
DrugCentral Ligand 647
GtoPdb PubChem SID 178100343
PubChem CID 156419
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Search UniChem for chemical match using the InChIKey VDHAWDNDOKGFTD-MRXNPFEDSA-N
Search UniChem for chemicals with the same backbone VDHAWDNDOKGFTD
Wikipedia Cinacalcet