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Compound Detail

CHEMBL1201139

MEGESTROL ACETATE
💊 Approved Drug
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💊 Approved Drug
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

Basic Information

ChEMBL ID CHEMBL1201139
Name MEGESTROL ACETATE
Phase Approved
Structure Type MOL
InChI Key RQZAXGRLVPAYTJ-GQFGMJRRSA-N
Therapeutic ✓ Yes

Known Names

5071 BDH 1298 BDH-1298 Chronopil Megace Megace es Megesterol acetate Megestrol Megestrol 17.alpha.-acetate Megestrol acetate NSC-71423 SC 10363 +1 more
5
Targets
8
Activities
2
Assay Types
1
PK Parameters
20
Publications
13
Known Names
20
Indications
1
Mechanisms

Molecular Properties

384.5
MW (Da)
4.58
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1971
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -estr-; -gest-
USAN Year 1963

Extended Properties

Molecular Formula C24H32O4
MW 384.52
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 1.99

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Progesterone receptor agonist AGONIST Progesterone receptor

Indications

Acquired Immunodeficiency Syndrome Anorexia Cachexia Neoplasms Neoplasms Primary Immunodeficiency Diseases Breast Neoplasms Breast Neoplasms Endometrial Neoplasms Endometrial Neoplasms Endometrial Neoplasms Endometrial Neoplasms Hot Flashes Liver Neoplasms Adrenal Cortex Neoplasms Carcinoma in Situ Dementia Head and Neck Neoplasms HIV Wasting Syndrome Pulmonary Disease, Chronic Obstructive

ATC Classification

G03AC05
megestrol
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03DB02
megestrol
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
L02AB01
megestrol
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ENDOCRINE THERAPY

Activity Summary

IC50 5 meas. best 7.96
Ki 3 meas. best 8.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL1909044
Ki 8.84 8.84 1.4 1
Glucocorticoid receptor
CHEMBL2034
Ki 8.06 8.06 8.8 1
Progesterone receptor
CHEMBL1909044
IC50 7.96 7.96 11.0 1
Glucocorticoid receptor
CHEMBL2034
IC50 7.72 7.72 19.0 1
Androgen receptor
CHEMBL3072
Ki 7.7 7.7 20.0 1
Androgen receptor
CHEMBL3072
IC50 7.52 7.52 30.0 1
Cytochrome P450 2C9
CHEMBL3397
IC50 5.0 5.0 10000.0 1
Bile salt export pump
CHEMBL6020
IC50 4.75 4.75 17800.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 13785.04 ng.hr.mL-1 Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 270
- 10.5281/zenodo.13943903 ADMET 89
16472241 10.2174/1570163043334794 Hepatotoxicity 18
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
20014752 10.1021/tx900326k Hepatotoxicity 3
926114 10.1021/jm00219a006 Progesterone receptor 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
8194172 10.1007/s002800050112 ATP-dependent translocase ABCB1 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
23956101 10.1093/toxsci/kft176 Homo sapiens 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
20185316 10.1016/j.bmc.2010.01.068 Leishmania major 1
20185316 10.1016/j.bmc.2010.01.068 Leishmania mexicana 1

Data from ChEMBL 36 via Core Engine