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CHEBI:48390 - cinacalcet

ChEBI IDCHEBI:48390
ChEBI Namecinacalcet
Stars
DefinitionA secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group.
Last Modified22 February 2017
Submitterhcourrier
DownloadsMolfile
FormulaC22H22F3N
Net Charge0
Average Mass357.419
Monoisotopic Mass357.17043
SMILESC[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=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
InChIKeyVDHAWDNDOKGFTD-MRXNPFEDSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
P450 inhibitor  An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.
Application:
calcimimetic  A drug that it mimics the action of calcium on tissues.
ChEBI Ontology
Outgoing Relation(s)
cinacalcet (CHEBI:48390) has role calcimimetic (CHEBI:48525)
cinacalcet (CHEBI:48390) has role P450 inhibitor (CHEBI:50183)
cinacalcet (CHEBI:48390) is a (trifluoromethyl)benzenes (CHEBI:83565)
cinacalcet (CHEBI:48390) is a naphthalenes (CHEBI:25477)
cinacalcet (CHEBI:48390) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
cinacalcet carbamate (CHEBI:48392) has functional parent cinacalcet (CHEBI:48390)
cinacalcet hydrochloride (CHEBI:48391) has functional parent cinacalcet (CHEBI:48390)
IUPAC Name 
N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
INN  Source
cinacalcetChemIDplus
Synonyms  Source
(R)-α-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane aminePatent
N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amineChemIDplus
CNCPatent
Brand Name  Source
MimparaDrugBank
Manual XrefsDatabases
DB01012DrugBank
D03504KEGG DRUG
US2007060645Patent
US6011068Patent
US6211244Patent
CinacalcetWikipedia
LSM-5815LINCS
647DrugCentral
Registry NumbersSources
Reaxys:10191346Reaxys
CAS:226256-56-0ChemIDplus
Citations