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Compound Detail

CHEMBL1201087

CABERGOLINE
💊 Approved Drug
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💊 Approved Drug
C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1201087
Name CABERGOLINE
Phase Approved
Structure Type MOL
InChI Key KORNTPPJEAJQIU-KJXAQDMKSA-N
Therapeutic ✓ Yes

Known Names

Cabaser Cabergolina Cabergoline Dostinex FCE 21336 FCE-21336 Velactis
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
7
Known Names
15
Indications
1
Mechanisms

Molecular Properties

451.6
MW (Da)
3.19
ALogP
4
HBA
2
HBD
71.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1996
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -erg-
USAN Year 1996

Extended Properties

Molecular Formula C26H37N5O2
MW 451.62
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.03

Mechanism of Action

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

Indications

Parkinson Disease Pituitary Neoplasms Diabetes Mellitus Ovarian Hyperstimulation Syndrome Restless Legs Syndrome Cocaine-Related Disorders Cocaine-Related Disorders Endometriosis Infertility Paget Disease, Extramammary Pituitary ACTH Hypersecretion Polycystic Ovary Syndrome Obesity Substance-Related Disorders Breast Neoplasms

ATC Classification

G02CB03
cabergoline
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: OTHER GYNECOLOGICALS
N04BC06
cabergoline
Level 1: NERVOUS SYSTEM
Level 2: ANTI-PARKINSON DRUGS

Activity Summary

Ki 5 meas. best 9.44
EC50 3 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL217
 Ki 9.44 9.44 0.4 2
5-hydroxytryptamine receptor 2B
CHEMBL1833
 Ki 8.85 8.85 1.4 1
D(1A) dopamine receptor
CHEMBL2056
 Ki 8.85 7.135 1.4 2
5-hydroxytryptamine receptor 2B
CHEMBL1833
 EC50 7.89 7.89 13.0 1
Dopamine receptor
CHEMBL2096905
 EC50 7.89 7.89 13.0 1
Alpha-2A adrenergic receptor
CHEMBL1867
 EC50 6.54 6.54 285.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor Ki = 0.36 nM 9.44 Binding affinity to D2 receptor (unknown origin) assessed as inhibition constant 39038276
D(2) dopamine receptor Ki = 0.36 nM 9.44 Binding affinity to D2L receptor (unknown origin) assessed as inhibition constan... 39038276
5-hydroxytryptamine receptor 2B Ki = 1.4 nM 8.85 Displacement of [125I](+/-)DOI from human 5-HT2B receptor transfected in CHO cel... 23606928
D(1A) dopamine receptor Ki = 1.4 nM 8.85 Binding affinity to dopamine D1 receptor (unknown origin) assessed as inhibition... 38516587
5-hydroxytryptamine receptor 2B EC50 = 13.0 nM 7.89 Agonist activity at human 5-HT2B receptor transfected in CHO cell assessed as IP... 23606928
Dopamine receptor EC50 = 13.0 nM 7.89 Inhibition of dopamine receptor (unknown origin) 38516587
Alpha-2A adrenergic receptor EC50 = 285.43 nM 6.54 GPCR PRESTO-Tango dose-response in agonist mode with target: ADRA2A -
D(1A) dopamine receptor Ki = 3800.0 nM 5.42 Binding affinity to D1 receptor (unknown origin) assessed as inhibition constant 39038276

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724801 HEK-293T 304
- 10.6019/CHEMBL5058577 Fibroblast 304
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5058577 HEK-293T 304
- 10.6019/CHEMBL5724801 U2OS 304
- 10.6019/CHEMBL5724801 Fibroblast 304
16472241 10.2174/1570163043334794 Hepatotoxicity 18
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 8
- 10.6019/CHEMBL5209801 Apelin receptor 8
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 8
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 8
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 8
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 8
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 8
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 8
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 8
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 8
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 8
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 8

Data from ChEMBL 36 via Core Engine