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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201139
CHEMBL1201139
Compound Name MEGESTROL ACETATE
ChEMBL Synonyms BDH 1298 | MEGACE ES | Ovaban | MEGESTROL | 5071 | MEGESTROL ACETATE | MEGACE | SC 10363
Max Phase 4 (Approved)
Trade Names MEGACE ES | MEGESTROL ACETATE | MEGACE | Ovaban
Molecular Formula C24H32O4

Additional synonyms for CHEMBL1201139 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3 ...
Download SMILES
Standard InChI InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22) ...
Download InChI
Standard InChI Key RQZAXGRLVPAYTJ-GQFGMJRRSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • 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


CHEMBL1201139

Molecule Features

CHEMBL1201139 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
HIV Wasting SyndromeD019247EFO:0007312HIV wasting syndrome2ClinicalTrials
Pulmonary Disease, Chronic ObstructiveD029424EFO:0000341chronic obstructive pulmonary disease2ClinicalTrials
DementiaD003704HP:0000726dementia2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC
ClinicalTrials
Cognitive DysfunctionD060825HP:0100543cognitive impairment0ClinicalTrials
Endometrial NeoplasmsD016889EFO:1001512endometrial carcinoma3ClinicalTrials
CachexiaD002100HP:0004326cachexia3ClinicalTrials
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma3ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
Nutrition DisordersD009748EFO:0001069nutritional disorder3ClinicalTrials
Breast NeoplasmsD001943EFO:0003869breast neoplasm3ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000707squamous cell carcinoma3ClinicalTrials
Endometrial NeoplasmsD016889EFO:0004230endometrial neoplasm3ClinicalTrials
HyperplasiaD006965EFO:0000536hyperplasia2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer4ClinicalTrials
Uterine NeoplasmsD014594EFO:0003859uterine neoplasm2ClinicalTrials

Clinical Data

ClinicalTrials.gov MEGESTROL ACETATE
The Cochrane Collaboration MEGESTROL 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 CHEMBL1201139. 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
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL3056 Androgen Receptor Mus musculus 1.000
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.999
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.998
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.997
CHEMBL208 Progesterone receptor Homo sapiens 0.997
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.996
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.962
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.938
CHEMBL1871 Androgen Receptor Homo sapiens 0.877



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3072 Androgen Receptor Rattus norvegicus 1.000
CHEMBL1978 Cytochrome P450 19A1 Homo sapiens 1.000
CHEMBL2034 Glucocorticoid receptor Homo sapiens 1.000
CHEMBL3368 Glucocorticoid receptor Rattus norvegicus 1.000
CHEMBL1697668 Solute carrier organic anion transporter family member 1B1 Homo sapiens 1.000
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.999
CHEMBL3522 Cytochrome P450 17A1 Homo sapiens 0.999
CHEMBL3056 Androgen Receptor Mus musculus 0.999
CHEMBL1743121 Solute carrier organic anion transporter family member 1B3 Homo sapiens 0.999
CHEMBL1856 Steroid 5-alpha-reductase 2 Homo sapiens 0.998
CHEMBL1787 Steroid 5-alpha-reductase 1 Homo sapiens 0.994
CHEMBL208 Progesterone receptor Homo sapiens 0.991
CHEMBL4430 Cytochrome P450 17A1 Rattus norvegicus 0.985
CHEMBL1871 Androgen Receptor Homo sapiens 0.970
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.776
CHEMBL335 Protein-tyrosine phosphatase 1B Homo sapiens 0.700
CHEMBL2027 Niemann-Pick C1-like protein 1 Homo sapiens 0.490
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.482
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.478
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.408

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
384.5 384.2301 4.58 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
- - 3.75 3.75 0 28 0.65

Structural Alerts

There are 3 structural alerts for CHEMBL1201139. 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
G03AC05 - megestrol

G - GENITO URINARY SYSTEM AND SEX HORMONES
G03 - SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03D - PROGESTOGENS
G03DB - Pregnadien derivatives
G03DB02 - megestrol

L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 - ENDOCRINE THERAPY
L02A - HORMONES AND RELATED AGENTS
L02AB - Progestogens
L02AB01 - megestrol

ChemSpider ChemSpider:RQZAXGRLVPAYTJ-GQFGMJRRSA-N
DailyMed megestrol acetate
PubChem SID: 144204020 SID: 144212677 SID: 170465406 SID: 26719675 SID: 56422102 SID: 856018

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201139



ACToR 51154-23-5 595-33-5
Brenda 122895
ChemicalBook CB9434253
DrugBank DB00351
DrugCentral 1667
eMolecules 511339 32176558
EPA CompTox Dashboard DTXSID9040683
FDA SRS TJ2M0FR8ES
IBM Patent System 77880C8009137FBAB6721E4ADA45C542
KEGG Ligand C08151
LINCS LSM-2441
LipidMaps LMST02030118
MolPort MolPort-005-934-820
NIH Clinical Collection SAM001246722
Nikkaji J6.777F
PubChem 11683
PubChem: Thomson Pharma 14853785 14756125
Selleck Megestrol-Acetate
SureChEMBL SCHEMBL745
ZINC ZINC000004097467

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