InChIKey	XCGSFFUVFURLIX-VFGNJEKYSA-N
Compound Name	Ergotamine
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=C2c3cccc4[nH]cc(c34)C[C@H]21
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	17
Pfam Stratification	Cross-Family
Avg pChEMBL	7.88
Source	BindingDB;ChEMBL

DrugBank ID	DB00696
Drug Name	Ergotamine
CAS Number	113-15-5
Groups	approved
ATC Codes	N02CA02 N02CA52 N02CA72
Description	A vasoconstrictor found in ergot of Central Europe. It is an alpha-1 selective adrenergic agonist and is commonly used in the treatment of migraine disorders.

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Categories: Adrenergic Agents Adrenergic Antagonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-Antagonists Agents that produce hypertension Alkaloids Analgesics Analgesics, Non-Narcotic 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 Inhibitors (strong) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Ergot Alkaloids and Derivatives Ergotamine Derivative Ergotamines Heterocyclic Compounds, Fused-Ring Narrow Therapeutic Index Drugs Nervous System Neurotransmitter Agents P-glycoprotein inhibitors Peripheral Nervous System Agents Reproductive Control 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 Uterotonic agents Vasoconstrictor Agents

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Cross-references: BindingDB: 50027065 ChEBI: 64318 CHEMBL442 ChemSpider: 7930 Drugs Product Database (DPD): 9252 C07544 D07906 PDB: ERM PharmGKB: PA164747651 PubChem:8223 PubChem:46507632 RxCUI: 4025 Therapeutic Targets Database: DAP000141 Wikipedia: Ergotamine ZINC: ZINC000052955754