CHEBI:50692 - mifepristone

ChEBI IDCHEBI:50692
ChEBI Namemifepristone
Stars
Secondary ChEBI IDsCHEBI:6934, CHEBI:40057
Last Modified4 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC29H35NO2
Net Charge0
Average Mass429.604
Monoisotopic Mass429.26678
SMILES[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(N(C)C)cc1)C1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
InChIKeyVKHAHZOOUSRJNA-GCNJZUOMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
hormone antagonist  A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
Applications:
hypoglycemic agent  A drug which lowers the blood glucose level.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
hormone antagonist  A chemical substance which inhibits the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
anxiolytic drug  Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
contraceptive drug  A chemical substance that prevents or reduces the probability of conception.
abortifacient  A chemical substance that interrupts pregnancy after implantation.
ChEBI Ontology
Outgoing Relation(s)
mifepristone (CHEBI:50692) has parent hydride estrane (CHEBI:23966)
mifepristone (CHEBI:50692) has role abortifacient (CHEBI:50691)
mifepristone (CHEBI:50692) has role anti-HIV agent (CHEBI:64946)
mifepristone (CHEBI:50692) has role antidepressant (CHEBI:35469)
mifepristone (CHEBI:50692) has role antineoplastic agent (CHEBI:35610)
mifepristone (CHEBI:50692) has role antipsychotic agent (CHEBI:35476)
mifepristone (CHEBI:50692) has role antiviral agent (CHEBI:22587)
mifepristone (CHEBI:50692) has role anxiolytic drug (CHEBI:35474)
mifepristone (CHEBI:50692) has role contraceptive drug (CHEBI:49323)
mifepristone (CHEBI:50692) has role hormone antagonist (CHEBI:49020)
mifepristone (CHEBI:50692) has role hypoglycemic agent (CHEBI:35526)
mifepristone (CHEBI:50692) has role synthetic oral contraceptive (CHEBI:49326)
mifepristone (CHEBI:50692) is a 3-oxo-Δ4 steroid (CHEBI:47909)
mifepristone (CHEBI:50692) is a acetylenic compound (CHEBI:73474)
mifepristone (CHEBI:50692) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
11β-[4-(dimethylamino)phenyl]-17β-hydroxy-17α-(prop-1-yn-1-yl)estra-4,9-dien-3-one
INNs  Source
mifepristonaChemIDplus
mifepristoneChemIDplus
mifepristonumChemIDplus
Synonyms  Source
11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONEPDBeChem
MifepristoneKEGG COMPOUND
NSC-759862ChEMBL
RU 38486ChEMBL
RU-38486ChEMBL
RU 486ChEMBL
Brand Names  Source
CorluxDrugBank
KorlymChEMBL
MifegyneDrugBank
MifeprexDrugBank
Manual XrefsDatabases
1805DrugCentral
486PDBeChem
C07652KEGG COMPOUND
D00585KEGG DRUG
DB00834DrugBank
EP57115Patent
LSM-2822LINCS
US4386085Patent
Registry NumbersSources
CAS:84371-65-3ChemIDplus
CAS:84371-65-3KEGG COMPOUND
Citations