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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL717
CHEMBL717
Compound Name MEDROXYPROGESTERONE ACETATE
ChEMBL Synonyms FARLUTAL 500 | CURRETAB | FARLUTAL | DEPO-PROVERA | Prempro | DEPO-PROGEVERA | CYCRIN | FARLUTAL 250 | FARLUTAL 200 | MEDROXYPROGESTERONE ACETATE | DEPO-SUBQ PROVERA 104 | FARLUTAL 100 | Lunelle | AMEN | SAYANA PRESS | DEPO-PROVERA ONCOLOGY | PROVERA | MEDROXYPROGESTERONE | MEDROXIPROGESTERONE ACETATE | CLIMANOR | ADGYN MEDRO
Max Phase 4 (Approved)
Trade Names DEPO-PROVERA | FARLUTAL | FARLUTAL 100 | FARLUTAL 500 | CYCRIN | DEPO-PROGEVERA | FARLUTAL 200 | FARLUTAL 250 | DEPO-SUBQ PROVERA 104 | MEDROXYPROGESTERONE ACETATE | AMEN | DEPO-PROVERA ONCOLOGY | SAYANA PRESS | ADGYN MEDRO | CLIMANOR | PROVERA | CURRETAB | Lunelle
Molecular Formula C24H34O4

Additional synonyms for CHEMBL717 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(=O)C)C(=O)C ...
Download SMILES
Standard InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22) ...
Download InChI
Standard InChI Key PSGAAPLEWMOORI-PEINSRQWSA-N

Sources

  • BindingDB Database
  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL717

Molecule Features

CHEMBL717 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Progesterone receptor agonist Progesterone receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carcinoma, Renal CellD002292EFO:0002890renal carcinoma3ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease3ClinicalTrials
HemorrhageD006470MP:0001914hemorrhage3ClinicalTrials
Lupus Erythematosus, SystemicD008180EFO:0002690systemic lupus erythematosus3ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease2ClinicalTrials
Sleep Apnea SyndromesD012891EFO:0003877sleep apnea2ClinicalTrials
HIV InfectionsD015658EFO:0000180HIV-1 infection2ClinicalTrials
MenorrhagiaD008595HP:0000132Menorrhagia3ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC
Carcinoma, Renal CellD002292EFO:0000681renal cell carcinoma3ClinicalTrials
Coronary DiseaseD003327EFO:0001645coronary heart disease3ClinicalTrials
InfertilityD007246EFO:0000545infertility3ClinicalTrials
MenopauseD008593EFO:0003922menopause3ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma3ClinicalTrials
Endometrial NeoplasmsD016889EFO:0004230endometrial neoplasm2ClinicalTrials
EndometriosisD004715EFO:0001065endometriosis2ClinicalTrials
Primary Ovarian InsufficiencyD016649EFO:0004266primary ovarian insufficiency2ClinicalTrials
OsteoporosisD010024EFO:0003882osteoporosis3ClinicalTrials
Turner SyndromeD014424Orphanet:881Turner syndrome3ClinicalTrials
HIV InfectionsD015658EFO:0000764HIV infection2ClinicalTrials
PainD010146EFO:0003843pain2ClinicalTrials

Clinical Data

ClinicalTrials.gov MEDROXYPROGESTERONE ACETATE
The Cochrane Collaboration MEDROXYPROGESTERONE ACETATE

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 CHEMBL717. 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
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL208 Progesterone receptor Homo sapiens 1.000
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.998
CHEMBL3559 Steryl-sulfatase Homo sapiens 0.991
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.921
CHEMBL4234 Estradiol 17-beta-dehydrogenase 3 Homo sapiens 0.894
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.370



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 1.000
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 1.000
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 1.000
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 1.000
CHEMBL1871 Androgen Receptor Homo sapiens 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL208 Progesterone receptor Homo sapiens 1.000
CHEMBL4681 Aldo-keto-reductase family 1 member C3 Homo sapiens 0.999
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.999
CHEMBL5905 Aldo-keto reductase family 1 member C1 Homo sapiens 0.993
CHEMBL3456 Progesterone receptor Oryctolagus cuniculus 0.989

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
386.5 386.2457 4.66 2 60.44 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.17 4.17 0 28 0.65

Structural Alerts

There are 3 structural alerts for CHEMBL717. 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
G03A - HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
G03AC - Progestogens
G03AC06 - medroxyprogesterone

G - GENITO URINARY SYSTEM AND SEX HORMONES
G03 - SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03D - PROGESTOGENS
G03DA - Pregnen (4) derivatives
G03DA02 - medroxyprogesterone

L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 - ENDOCRINE THERAPY
L02A - HORMONES AND RELATED AGENTS
L02AB - Progestogens
L02AB02 - medroxyprogesterone

ChemSpider ChemSpider:PSGAAPLEWMOORI-PEINSRQWSA-N
DailyMed medroxyprogesterone acetate
PubChem SID: 144204872 SID: 144207339 SID: 170464622 SID: 17388931 SID: 26751478 SID: 56422500 SID: 855664
Wikipedia Medroxyprogesterone_acetate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL717



ACToR 135843-32-2
BindingDB 50067678
ChEBI 6716
ChemicalBook CB8130110
DrugBank DB00603
DrugCentral 1659
eMolecules 30512639 511318
EPA CompTox Dashboard DTXSID0025527
FDA SRS C2QI4IOI2G
IBM Patent System 9C5DE392A559640B822863905C981994
KEGG Ligand C08150
LINCS LSM-5882
MolPort MolPort-001-794-638
NIH Clinical Collection SAM002564220
Nikkaji J5.247G
PubChem 6279
PubChem: Thomson Pharma 14780490 14853921
Selleck Medroxyprogesterone-acetate
SureChEMBL SCHEMBL4276
ZINC ZINC000005029557

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