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Compound Detail

CHEMBL1533

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

Basic Information

ChEMBL ID CHEMBL1533
Name DESOGESTREL
Phase Approved
Structure Type MOL
InChI Key RPLCPCMSCLEKRS-BPIQYHPVSA-N
Therapeutic ✓ Yes
Active Moiety CHEMBL1531

Known Names

Aizea Cerazette Cerelle Desogestrel Desogestrel component of bekyree Desogestrel component of cyclessa Desogestrel component of desogen Desogestrel component of enskyce Desogestrel component of isibloom Desogestrel component of kariva Desogestrel component of mircette Desogestrel component of ortho-cept +11 more
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
23
Known Names
5
Indications
1
Mechanisms

Molecular Properties

310.5
MW (Da)
4.87
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1992
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product Prodrug
USAN Stem -estr-; -gest-
USAN Year 1990

Extended Properties

Molecular Formula C22H30O
MW 310.48
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.78

Mechanism of Action

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

Indications

Amenorrhea Hemorrhage Infertility Polycystic Ovary Syndrome Sleep Apnea, Central

ATC Classification

G03AC09
desogestrel
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM

Activity Summary

Kd 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sex hormone-binding globulin
CHEMBL3305
 Kd 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sex hormone-binding globulin Kd = 251.19 nM 6.6 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-1A adrenergic receptor 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 3
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 3
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A1 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 2
37468498 10.1038/s41467-023-40064-9 Amine oxidase [flavin-containing] A 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
24088053 10.1021/jm400813y D(1A) dopamine receptor 2
24088053 10.1021/jm400813y D(2) dopamine receptor 2

Data from ChEMBL 36 via Core Engine