General Information
Drug ID
DR00069
Drug Name
Cabergoline
Synonyms
(8R)-6-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide; (8beta)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide; (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-ergoline-8-carboxamide; (8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-prop-2-en-1-ylergoline-8-carboxamide; 1-((6-Allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea; 1-[(6-allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)propyl]-3-ethylurea; 1-ethyl-2-(3'-dimethylaminopropyl)-3-(6'-allylergoline-8'-beta-carbonyl)urea diphosphate; 1-ethyl-3-(3'-dimethylamionpropyl)-2-(6'-allylergoline-8'beta-carbonyl)urea; CG-101; Cabaser; Cabaser (TN); Cabaseril; Cabergolina; Cabergolina [Spanish]; Cabergoline (JAN/USAN/INN); Cabergoline [USAN:BAN:INN]; Cabergolinum; Cabergolinum [Latin]; Dostinex; Dostinex (TN); FCE-21336; Galastop; Sogilen
Drug Type
Small molecular drug
Indication Hyperprolactinemia [ICD11:5A60.1] Approved [1]
Therapeutic Class
Anticancer Agents
Structure
3D MOL 2D MOL
Formula
C26H37N5O2
Canonical SMILES
CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=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
InChIKey
KORNTPPJEAJQIU-KJXAQDMKSA-N
CAS Number
CAS 81409-90-7
Pharmaceutical Properties Molecular Weight 451.6 Topological Polar Surface Area 71.7
Heavy Atom Count 33 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
XLogP
3.4
PubChem CID
54746
PubChem SID
103771070 ,10387 ,104305757 ,117539013 ,118047283 ,12013713 ,126624984 ,126656189 ,126684133 ,134337565 ,135013805 ,135652674 ,135989394 ,137001464 ,142175117 ,144206142 ,14759961 ,14808642 ,152101006 ,160963596 ,162179026 ,163133315 ,164155372 ,164824353 ,170464667 ,175267048 ,176484246 ,179151225 ,184546096 ,196111573 ,223682255 ,223820795 ,226427091 ,252222293 ,252391240 ,34718715 ,46508571 ,48415679 ,49965419 ,53787199 ,57313654 ,75968790 ,7848050 ,7978840 ,8183775 ,85788035 ,92309005 ,92713133 ,92740959 ,93166933
ChEBI ID
CHEBI:3286
TTD Drug ID
D04EGX
DT(s) Transporting This Drug P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Cabergoline was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Polymorphisms of the drug transporter gene ABCB1 predict side effects of treatment with cabergoline in patients with PRL adenomas. Eur J Endocrinol. 2012 Sep;167(3):327-35.

If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.