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Compound Detail

CHEMBL1531

ETONOGESTREL
💊 Approved Drug
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💊 Approved Drug
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1531
Name ETONOGESTREL
Phase Approved
Structure Type MOL
InChI Key GCKFUYQCUCGESZ-BPIQYHPVSA-N
Therapeutic ✓ Yes

Known Names

Desogestrel related compound c Etonogestrel Etonogestrel component of nuvaring Implanon Nexplanon ORG 3236 ORG-3236
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
7
Known Names
6
Indications
1
Mechanisms

Molecular Properties

324.5
MW (Da)
4.05
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2001
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Parenteral Topical

Flags

Natural Product
USAN Stem -estr-; -gest-
USAN Year 1993

Extended Properties

Molecular Formula C22H28O2
MW 324.46
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 1.93

Mechanism of Action

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

Indications

Acquired Immunodeficiency Syndrome Dysmenorrhea HIV Infections Lupus Erythematosus, Systemic Pregnancy Prostatic Hyperplasia

ATC Classification

G03AC08
etonogestrel
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM

Activity Summary

Kd 1 meas. best 8.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sex hormone-binding globulin
CHEMBL3305
 Kd 8.23 8.23 5.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sex hormone-binding globulin Kd = 5.888 nM 8.23 Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding gl... 18330978

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 3
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 3
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 Amine oxidase [flavin-containing] A 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 D(3) dopamine receptor 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Kappa-type opioid receptor 1
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 1

Data from ChEMBL 36 via Core Engine