cabergoline   Click here for help

GtoPdb Ligand ID: 37

Synonyms: Cabaser® | Caberlin®
Approved drug
cabergoline is an approved drug (FDA (1996))
Compound class: Synthetic organic
Comment: Cabergoline is an ergot-derived, long-acting dopamine receptor agonist (dopamine D2 receptor) and prolactin inhibitor.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 71.68
Molecular weight 451.29
XLogP 2.87
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES C=CCN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C
Isomeric SMILES C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C
InChI InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1996))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5860 cabergoline
Synonyms Click here for help
Cabaser® | Caberlin®
Database Links Click here for help
Specialist databases
GPCRdb Ligand cabergoline
Other databases
CAS Registry No. 81409-90-7
ChEMBL Ligand CHEMBL1201087
DrugBank Ligand DB00248
DrugCentral Ligand 460
GtoPdb PubChem SID 135652674
PubChem CID 54746
Search Google for chemical match using the InChIKey KORNTPPJEAJQIU-KJXAQDMKSA-N
Search Google for chemicals with the same backbone KORNTPPJEAJQIU
Search PubMed clinical trials cabergoline
Search PubMed titles cabergoline
Search PubMed titles/abstracts cabergoline
UniChem Compound Search for chemical match using the InChIKey KORNTPPJEAJQIU-KJXAQDMKSA-N
UniChem Connectivity Search for chemical match using the InChIKey KORNTPPJEAJQIU-KJXAQDMKSA-N
Wikipedia Cabergoline