The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_31547 http://purl.obolibrary.org/obo/CHEBI_31547
Preferred Name	eplerenone
Synonyms	C24H30O6 Eplerenone Inspra Epoxymexrenone eplerenone 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	eplerenone
label	eplerenone
DBSynonym	epoxymexrenone
ATCCode	C03DA04
Definition	A steroid acid ester that has formula C24H30O6.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0001046 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0001052 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0001001 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000766 http://purl.obolibrary.org/obo/OAE_0000402 See more See less
has pharmacological target	http://purl.obolibrary.org/obo/dinto_3324
inhibits	http://purl.obolibrary.org/obo/dinto_0278
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_35674 http://purl.obolibrary.org/obo/CHEBI_50844
InChIKey	InChIKey=JUKPWJGBANNWMW-VWBFHTRKSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1956
blocks	http://purl.obolibrary.org/obo/dinto_3324
Synonym	C24H30O6 Eplerenone Inspra Epoxymexrenone eplerenone 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone methyl (1'R,2R,2'S,9'R,10'R,11'S,15'S,17'R)-2',15'-dimethyl-5,5'-dioxo-18'-oxaspiro[oxolane-2,14'-pentacyclo[8.8.0.0^{1,17}.0^{2,7}.0^{11,15}]octadecan]-6'-ene-9'-carboxylate See more See less
xref	Wikipedia:http://en.wikipedia.org/wiki/Eplerenone RxList:http://www.rxlist.com/cgi/generic/inspra.htm Drugs.com:http://www.drugs.com/cdi/eplerenone.html Guide To Pharmacology:2876 KEGG COMPOUND:C12512 ChEBI:31547 IUPHAR:2876 DrugBank:DB00700 ChEMBL:726453 PharmGKB:PA164749044 Wikipedia:Eplerenone KEGG DRUG:D01115 CASRN:107724-20-9 PDRhealth:http://www.pdrhealth.com/drug_info/rxdrugprofiles/drugs/ins1681.shtml National Drug Code Directory:0185-5368-30 See more See less
CASRN	107724-20-9
prefixIRI	obo2:CHEBI_31547
SMILES	[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]1O[C@@]11[C@@]2([H])[C@@H](CC2=CC(=O)CC[C@]12C)C(=O)OC
may interact with	http://purl.obolibrary.org/obo/dinto_DB00519 http://purl.obolibrary.org/obo/CHEBI_9948 http://purl.obolibrary.org/obo/dinto_DB00384 http://purl.obolibrary.org/obo/dinto_DB00196 http://purl.obolibrary.org/obo/CHEBI_7494 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/CHEBI_63621 http://purl.obolibrary.org/obo/CHEBI_681850 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB01361 http://purl.obolibrary.org/obo/CHEBI_9241 http://purl.obolibrary.org/obo/dinto_DB01356 http://purl.obolibrary.org/obo/dinto_DB01344 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_50861 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/CHEBI_3090 http://purl.obolibrary.org/obo/dinto_DB00503 http://purl.obolibrary.org/obo/CHEBI_2639 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/dinto_DB01345 http://purl.obolibrary.org/obo/dinto_DB00220 http://purl.obolibrary.org/obo/dinto_DB00976 See more See less
DBname	eplerenone
InChI	InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
DBBrand	inspra
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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