BROMOCRIPTINE MESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1978)
Entry Type: Small molecule
Molecule Category: Salt
UNII: FFP983J3OD
Parent Compound: BROMOCRIPTINE

Structure
InChI Key NOJMTMIRQRDZMT-GSPXQYRGSA-N
Smile CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O
InChI
InChI=1S/C32H40BrN5O5.CH4O3S/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;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H44BrN5O8S
Molecular Weight 750.71
AlogP 3.19
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 118.21
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 43.0

Pharmacology

Action Mechanism of Action Reference
AGONIST D2-like dopamine receptor agonist PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 67

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 4 D010300 FDA
Acromegaly 4 D000172 FDA

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
14.72
Psychiatric disorders
10.35
General disorders and administration site conditions
9.94
Investigations
8.7
Cardiac disorders
6.87
Vascular disorders
5.65
Gastrointestinal disorders
5.02
Injury, poisoning and procedural complications
4.96
Respiratory, thoracic and mediastinal disorders
4.63
Endocrine disorders
4.07
Metabolism and nutrition disorders
3.94
Musculoskeletal and connective tissue disorders
3.75
Pregnancy, puerperium and perinatal conditions
3.25
Eye disorders
2.45
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.36

Cross References

Resources Reference
ChEBI 3182
ChEMBL CHEMBL1200503
EPA CompTox DTXSID6020197
FDA SRS FFP983J3OD
Guide to Pharmacology 35
KEGG C06856
PDB 08Y
PubChem 31100
SureChEMBL SCHEMBL40559
ZINC ZINC53683151
CONTENTS