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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1276308
CHEMBL1276308
Compound Name MIFEPRISTONE
ChEMBL Synonyms MIFEGYNE | RU 38486 | RU 486 | KORLYM | MIFEPREX | MIFEPRISTONE
Max Phase 4 (Approved)
Trade Names MIFEGYNE | MIFEPREX | KORLYM
Molecular Formula C29H35NO2

Additional synonyms for CHEMBL1276308 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C) ...
Download SMILES
Standard InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(3 ...
Download InChI
Standard InChI Key VKHAHZOOUSRJNA-GCNJZUOMSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1276308

Molecule Features

CHEMBL1276308 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glucocorticoid receptor antagonist Glucocorticoid receptor DailyMed PubMed
Progesterone receptor antagonist Progesterone receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Borderline Personality DisorderD001883HP:0012076Borderline personality disorder2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
EndometriosisD004715EFO:0001065endometriosis2ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease2ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder2ClinicalTrials
Hepatitis CD006526EFO:0003047hepatitis C infection2ClinicalTrials
Pituitary ACTH HypersecretionD047748EFO:1001110pituitary-dependent Cushing's disease3ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma2ClinicalTrials
Breast Neoplasms, MaleD018567EFO:0006861male breast carcinoma1ClinicalTrials
Carcinoma, Intraductal, NoninfiltratingD002285EFO:0000432ductal carcinoma in situ0ClinicalTrials
Cushing SyndromeD003480EFO:0003099Cushing syndrome3ClinicalTrials
MeningiomaD008579Orphanet:2495Meningioma3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression3ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection2ClinicalTrials
Tobacco Use DisorderD014029EFO:0003768nicotine dependence0ClinicalTrials
Retinal DiseasesD012164EFO:0003839retinopathy2ClinicalTrials
Stress Disorders, Post-TraumaticD013313EFO:0001358post-traumatic stress disorder2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma2ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
LeiomyomaD007889EFO:0000731uterine fibroid3ClinicalTrials
Abortion, SpontaneousD0000223ClinicalTrials
AlcoholismD000437EFO:0003829alcohol dependence2ClinicalTrials
AnxietyD001007EFO:0005230anxiety1ClinicalTrials
Endometrial NeoplasmsD016889EFO:0004230endometrial neoplasm2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov MIFEPRISTONE
The Cochrane Collaboration MIFEPRISTONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1276308. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL208 Progesterone receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL242 Estrogen receptor beta Homo sapiens 0.993
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 0.510
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.382
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.223



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL208 Progesterone receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL4218 Alpha trans-inducing protein (VP16) Herpes simplex virus (type 1 / strain 17) 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL206 Estrogen receptor alpha Homo sapiens 0.984
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.976
CHEMBL242 Estrogen receptor beta Homo sapiens 0.975
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.966
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.393
CHEMBL4027 Neurokinin 1 receptor Rattus norvegicus 0.378
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.363
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.359

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
429.6 429.2668 5.41 2 40.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 1 3 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.94 5.49 6.19 6.19 1 32 0.64

Structural Alerts

There are 3 structural alerts for CHEMBL1276308. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G03 - SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03X - OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03XB - Progesterone receptor modulators
G03XB01 - mifepristone

G - GENITO URINARY SYSTEM AND SEX HORMONES
G03 - SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03X - OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03XB - Progesterone receptor modulators
G03XB51 - mifepristone, combinations

ChemSpider ChemSpider:VKHAHZOOUSRJNA-GCNJZUOMSA-N
DailyMed mifepristone
PubChem SID: 11533034 SID: 144204503 SID: 144212158 SID: 170465151 SID: 26752198 SID: 26752199 SID: 50104862 SID: 50104863 SID: 50124354 SID: 56424093 SID: 90341299

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1276308



ACToR 122742-25-0 83203-42-3 84371-65-3
BindingDB 18627
Brenda 107206
ChEBI 50692
ChemicalBook CB6351940
DrugBank DB00834
DrugCentral 1805
eMolecules 592261 30154688 29563088
EPA CompTox Dashboard DTXSID5023322
FDA SRS 320T6RNW1F
Guide to Pharmacology 2805
Human Metabolome Database HMDB0014972
IBM Patent System EE367B10FE9EAEE09AA0977DEE2F1B52
KEGG Ligand C07652
LINCS LSM-2822
Mcule MCULE-2182366689
MolPort MolPort-003-849-222
NIH Clinical Collection SAM001246881
Nikkaji J23.743D
PDBe 486
PharmGKB PA450500
PubChem 55245
PubChem: Drugs of the Future 12013919
PubChem: Thomson Pharma 14905326 14758749
Selleck Mifepristone(Mifeprex)
SureChEMBL SCHEMBL16087
ZINC ZINC000003831128

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VKHAHZOOUSRJNA-GCNJZUOMSA-N spacer
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