cabergoline

Ligand Id: 37
Ligand name cabergoline

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 67.92
Molecular weight 451.29
XLogP 3.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
Approved drug? Yes (source: FDA (1996))
DrugBank groups approved
IUPAC Name
1-[3-(dimethylamino)propyl]-3-ethyl-1-{[(2R,4R,7R)-6-(prop-2-en-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl]carbonyl}urea
International Nonproprietary Names
INN number INN
5860 cabergoline
Database Links
CAS Registry No. 81409-90-7 (source: DrugBank)
DrugBank Ligand DB00248
PharmGKB Drug PA448708
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
Wikipedia Cabergoline
ZINC ZINC53230301
Comments
Cabergoline is a long-acting dopamine agonist (dopamine D2 receptor) and prolactin inhibitor.