DIHYDROERGOTAMINE MESYLATE


Trade Names	D.H.E. 45 DIHYDROERGOTAMINE MESYLATE MIGRANAL
Synonyms	D.h.e. 45 DHE-45 Diergo Dihydergot Dihydroergotamine Methanesulfonate Dihydroergotamine mesilate Dihydroergotamine mesylate Dihydroergotamine methanesulfonate Migranal NSC-759848 Tonopan
Status
Molecule Category	Salt
UNII	81AXN7R2QT
Parent Compound:	DIHYDROERGOTAMINE


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	ADYPXRFPBQGGAH-UMYZUSPBSA-N
Smiles	CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O
InChI	InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1

Pharmacology

Mechanism of Action	Action	Reference
Serotonin 1d (5-HT1d) receptor agonist	AGONIST	DailyMed


Protein: Serotonin 1d (5-HT1d) receptor Description: 5-hydroxytryptamine receptor 1D Organism : Homo sapiens P28221 ENSG00000179546

Cross References

Resources	Reference
ChEBI	59756
ChEMBL	CHEMBL1200517
FDA SRS	81AXN7R2QT
Guide to Pharmacology	121
KEGG	C07798
PubChem	71171
SureChEMBL	SCHEMBL40843
ZINC	ZINC03978005

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects from the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects from the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).