Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2218861

QUINAGOLIDE
💊 Approved Drug
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
💊 Approved Drug
CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2218861
Name QUINAGOLIDE
Phase Approved
Structure Type MOL
InChI Key GDFGTRDCCWFXTG-UHFFFAOYSA-N

Known Names

Quinagolida Quinagolide
4
Targets
18
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Indications
1
Mechanisms

Molecular Properties

395.6
MW (Da)
2.14
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2004
Availability Unknown
Chirality Racemic

Flags

Natural Product

Extended Properties

Molecular Formula C20H33N3O3S
MW 395.57
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.25

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dopamine D2 receptor agonist AGONIST D(2) dopamine receptor ✓ ✓

Indications

Ovarian Hyperstimulation Syndrome

ATC Classification

G02CB04
quinagolide
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: OTHER GYNECOLOGICALS

Activity Summary

IC50 18 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dopamine receptor
CHEMBL2096970
 IC50 7.72 7.1533 19.0 6
Serotonin (5-HT) receptor
CHEMBL2094123
 IC50 5.64 5.4 2300.0 6
Adrenergic receptor alpha-2
CHEMBL2093864
 IC50 5.25 5.21 5600.0 3
Adrenergic receptor alpha-1
CHEMBL1907610
 IC50 5.22 5.1467 6000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dopamine receptor IC50 = 19.0 nM 7.72 In vitro inhibitory activity was evaluated against,[3H]spiperone calf caudate (S... 4045929
Dopamine receptor IC50 = 48.0 nM 7.32 In vitro inhibitory activity against dopamine receptor from calf caudate using [... 3973904
Dopamine receptor IC50 = 48.0 nM 7.32 In vitro inhibitory activity was evaluated against,[3H]spiperone calf caudate (S... 4045929
Dopamine receptor IC50 = 75.0 nM 7.12 In vitro inhibitory activity was evaluated against,[3H]dopamine (DA),calf caudat... 4045929
Dopamine receptor IC50 = 190.0 nM 6.72 In vitro inhibitory activity against dopamine receptor from calf caudate using [... 3973904
Dopamine receptor IC50 = 190.0 nM 6.72 In vitro inhibitory activity was evaluated against,[3H]dopamine (DA),calf caudat... 4045929
Serotonin (5-HT) receptor IC50 = 2300.0 nM 5.64 In vitro inhibitory activity was evaluated against,[3H]spiperone rat frontal cor... 4045929
Serotonin (5-HT) receptor IC50 = 3200.0 nM 5.5 In vitro inhibitory activity was evaluated against,[3H]serotonin (5-HT) whole ra... 4045929
Serotonin (5-HT) receptor IC50 = 4600.0 nM 5.34 In vitro inhibitory activity was evaluated against,[3H]serotonin (5-HT) whole ra... 4045929
Serotonin (5-HT) receptor IC50 = 4600.0 nM 5.34 In vitro inhibitory activity against serotonin receptor from whole rat brain usi... 3973904
Serotonin (5-HT) receptor IC50 = 5100.0 nM 5.29 In vitro inhibitory activity against serotonin receptor from rat frontal cortex ... 3973904
Serotonin (5-HT) receptor IC50 = 5100.0 nM 5.29 In vitro inhibitory activity was evaluated against,[3H]spiperone rat frontal cor... 4045929
Adrenergic receptor alpha-2 IC50 = 5600.0 nM 5.25 In vitro inhibitory activity against alpha-2 adrenergic receptor from rat brain ... 3973904
Adrenergic receptor alpha-2 IC50 = 5600.0 nM 5.25 In vitro inhibitory activity was evaluated against,[3H]clonidine (Clon) rat brai... 4045929
Adrenergic receptor alpha-1 IC50 = 6000.0 nM 5.22 In vitro inhibitory activity was evaluated against,[3H]WB 4101 whole rat brain a... 4045929
Adrenergic receptor alpha-2 IC50 = 7400.0 nM 5.13 In vitro inhibitory activity was evaluated against,[3H]clonidine (Clon) rat brai... 4045929
Adrenergic receptor alpha-1 IC50 = 7800.0 nM 5.11 In vitro inhibitory activity against alpha-1 adrenergic receptor from whole rat ... 3973904
Adrenergic receptor alpha-1 IC50 = 7800.0 nM 5.11 In vitro inhibitory activity was evaluated against,[3H]WB 4101 whole rat brain a... 4045929

Literature References

PubMed DOI Target Context # Activities
4045929 10.1021/jm00148a030 Dopamine receptor 6
4045929 10.1021/jm00148a030 Serotonin (5-HT) receptor 6
4045929 10.1021/jm00148a030 Rattus norvegicus 3
4045929 10.1021/jm00148a030 Adrenergic receptor alpha-2 3
4045929 10.1021/jm00148a030 Adrenergic receptor alpha-1 3
3973904 10.1021/jm00381a017 Rattus norvegicus 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
3973904 10.1021/jm00381a017 Serotonin (5-HT) receptor 2
3973904 10.1021/jm00381a017 Dopamine receptor 2

Data from ChEMBL 36 via Core Engine