Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00550
|
|||||
| Drug Name |
Bromocriptine
|
|||||
| Synonyms |
(5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman; (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione; (5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman; (5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman; (6aR,9R)-5-Bromo-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide; 2-Bromo-12'-hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotamin-3',6',18-trione; 2-Bromo-alpha-ergocryptine; 2-Bromo-alpha-ergokryptin; 2-Bromo-alpha-ergokryptine; 2-Bromoergocryptine Methanesulfonate; 2-Bromoergokryptine; Alti-Bromocriptine; Apo-Bromocriptine; Bagren; Bromergocryptine; Bromocriptin; Bromocriptina; Bromocriptina [INN-Spanish]; Bromocriptine (USAN/INN); Bromocriptine [BAN]; Bromocriptine [USAN:BAN:INN]; Bromocriptine methanesulfonate; Bromocriptinum; Bromocriptinum [INN-Latin]; Bromocryptin; Bromocryptine; Bromoergocriptine; Bromoergocryptine; CB-154; Ergocryptine, 2-bromo-(8CI); Ergoset; Parlodel; Parlodel (TN); Parlodel Snaptabs
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Type 2 diabetes [ICD11:5A11] | Approved | [1] | |||
| Therapeutic Class |
Antiparkinson Agents
|
|||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C32H40BrN5O5
|
|||||
| Canonical SMILES |
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O
|
|||||
| InChI |
InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
|
|||||
| InChIKey |
OZVBMTJYIDMWIL-AYFBDAFISA-N
|
|||||
| CAS Number |
CAS 25614-03-3
|
|||||
| Pharmaceutical Properties | Molecular Weight | 654.6 | Topological Polar Surface Area | 118 | ||
| Heavy Atom Count | 43 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 6 | |||
| XLogP |
3.8
|
|||||
| PubChem CID | ||||||
| PubChem SID |
103170197
,103936294
,104309997
,11405760
,11466149
,11467269
,11485837
,117390441
,124749509
,124886913
,126625420
,126656565
,127298886
,127298887
,127298888
,127298889
,127298890
,127298891
,127298892
,127298893
,127298894
,127298895
,127298896
,127298897
,127298898
,14765834
,14765835
,17397319
,24262982
,34673282
,46505504
,47217056
,47440541
,47589227
,47589228
,47885652
,48415647
,49658626
,49965589
,50872033
,53789332
,57311062
,605475
,7978821
,8171939
,85788755
,90340796
,9074
,92712670
,93166622
|
|||||
| ChEBI ID |
ChEBI:3181
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Bromocriptine was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Improving the prediction of the brain disposition for orally administered drugs using BDDCS. Adv Drug Deliv Rev. 2012 Jan;64(1):95-109. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.