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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105694
CHEMBL2105694
Compound Name TELAPRISTONE ACETATE
ChEMBL Synonyms PROELLEXTM | Progenta | Proellex | CDB-4124 | RU 44675 | TELAPRISTONE ACETATE
Max Phase 3
Trade Names
Molecular Formula C31H39NO5

Additional synonyms for CHEMBL2105694 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12 ...
Download SMILES
Standard InChI InChI=1S/C31H39NO5/c1-19(33)37-31(28(35)18-36-5)15-14-27-25- ...
Download InChI
Standard InChI Key JVBGZFRPTRKSBB-MJBQOYBXSA-N

Sources

  • Clinical Candidates
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2105694

Molecule Features

CHEMBL2105694 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Progesterone receptor modulator Progesterone receptor Other PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Liver DiseasesD008107EFO:0001421liver disease1ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma2ClinicalTrials
AmenorrheaD0005681ClinicalTrials
LeiomyomaD007889EFO:0000731uterine fibroid3ClinicalTrials
EndometriosisD004715EFO:0001065endometriosis2ClinicalTrials

Clinical Data

ClinicalTrials.gov TELAPRISTONE ACETATE
The Cochrane Collaboration TELAPRISTONE ACETATE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2105694. 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
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 0.999
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.952
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.928
CHEMBL3056 Androgen Receptor Mus musculus 0.920
CHEMBL242 Estrogen receptor beta Homo sapiens 0.737
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.369
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.324



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
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.999
CHEMBL1871 Androgen Receptor Homo sapiens 0.999
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 0.999
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.997
CHEMBL3056 Androgen Receptor Mus musculus 0.968
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.941
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.758
CHEMBL242 Estrogen receptor beta Homo sapiens 0.636

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
505.7 505.2828 5.17 6 72.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 2 6 0 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.49 4.8 4.8 1 37 0.5

Structural Alerts

There are 5 structural alerts for CHEMBL2105694. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JVBGZFRPTRKSBB-MJBQOYBXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105694



ACToR 136960-00-4
EPA CompTox Dashboard DTXSID60173587
FDA SRS 1K9EYK92PQ
IBM Patent System F3464C79219E98C16F7BA1A8391CC4D3
PubChem 9806190
PubChem: Thomson Pharma 14762326 14811148
SureChEMBL SCHEMBL374762

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