The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_48390 http://purl.obolibrary.org/obo/CHEBI_48390
Preferred Name	cinacalcet
Synonyms	N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine Mimpara (R)-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine CNC C22H22F3N cinacalcet N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine [(1R)-1-(naphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	cinacalcet
label	cinacalcet
ATCCode	H05BX01
Definition	A 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.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0001055 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000306 http://purl.obolibrary.org/obo/OAE_0000022 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000358 http://purl.obolibrary.org/obo/OAE_0000402 See more See less
has pharmacological target	http://purl.obolibrary.org/obo/dinto_0256
activates	http://purl.obolibrary.org/obo/dinto_0256
inhibits	http://purl.obolibrary.org/obo/dinto_2993
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_50183 http://purl.obolibrary.org/obo/CHEBI_48525
InChIKey	InChIKey=VDHAWDNDOKGFTD-MRXNPFEDSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_0901
AHFScode	92:00.00
Synonym	N-[(1R)-1-(1-naphthyl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine Mimpara (R)-alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-1-naphthalenemethane amine CNC C22H22F3N cinacalcet N-((1R)-1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine [(1R)-1-(naphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})amine See more See less
xref	CiteXplore:17652181 DrugBank:DB01012 PubChem Compound:156419 ChemSpider:137743 Drugs.com:http://www.drugs.com/cdi/cinacalcet.html ChEBI:48390 RxList:http://www.rxlist.com/cgi/generic3/sensipar.htm PubChem Substance:46506315 Patent:US6211244 Reaxys:10191346 IUPHAR:3308 Guide To Pharmacology:3308 KEGG DRUG:D03504 Drugs Product Database (DPD):2257157 ChEMBL:775235 CASRN:226256-56-0 PharmGKB:PA164776671 Wikipedia:http://en.wikipedia.org/wiki/Cinacalcet Wikipedia:Cinacalcet Patent:US2007060645 CiteXplore:16680561 National Drug Code Directory:55513-073-30 Patent:US6011068 See more See less
CASRN	226256-56-0
prefixIRI	obo2:CHEBI_48390
SMILES	C[C@@H](NCCCC1=CC(=CC=C1)C(F)(F)F)C1=CC=CC2=CC=CC=C12 C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
may interact with	http://purl.obolibrary.org/obo/CHEBI_32250 http://purl.obolibrary.org/obo/CHEBI_9943 http://purl.obolibrary.org/obo/CHEBI_41774 http://purl.obolibrary.org/obo/dinto_DB00726 http://purl.obolibrary.org/obo/CHEBI_51364 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/CHEBI_9622 http://purl.obolibrary.org/obo/CHEBI_9398 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/dinto_DB00976 See more See less
DBname	cinacalcet
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
DBBrand	sensipar
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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