InChIKey	LUZRJRNZXALNLM-JGRZULCMSA-N
Compound Name	Dihydroergotamine
Canonical 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
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	20
Pfam Stratification	Cross-Family
Avg pChEMBL	7.59
Source	ChEMBL

DrugBank ID	DB00320
Drug Name	Dihydroergotamine
CAS Number	511-12-6
Groups	approved
ATC Codes	N02CA51 N02CA01
Description	A 9,10alpha-dihydro derivative of [ergotamine]. Dihydroergotamine is used as an abortive therapy for migraines.[L38469] Its use has largely been supplanted by triptans in current therapy due to the class's greater selectivity and more favourable side effect profile. Recent improvements have been mad...

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Categories: Adrenergic Antagonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-Antagonists Agents that produce hypertension Alkaloids Analgesics Antidepressive Agents Antimigraine Preparations Cardiovascular Agents Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Dopamine Agonists Ergot Alkaloids and Derivatives Ergot-derivative Dopamine Receptor Agonists Ergotamine Derivative Ergotamines Heterocyclic Compounds, Fused-Ring Narrow Therapeutic Index Drugs Nervous System Neurotransmitter Agents P-glycoprotein inhibitors Peripheral Nervous System Agents Sensory System Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT1 Receptor Agonists Serotonin 5-HT2 Receptor Agonists Serotonin Agents Serotonin Modulators Serotonin Receptor Agonists Sympatholytic (Adrenergic Blocking) Agents Vasoconstrictor Agents

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Cross-references: BindingDB: 50295557 ChEBI: 4562 CHEMBL1732 ChemSpider: 10091 Drugs Product Database (DPD): 3359 C07798 D07837 PDB: 2GM PharmGKB: PA164743028 PubChem:10531 PubChem:46507711 RxCUI: 3418 Therapeutic Targets Database: DAP000078 Wikipedia: Dihydroergotamine ZINC: ZINC000003978005