Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D01TSI
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| Former ID |
DAP000141
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| Drug Name |
Ergotamine
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| Synonyms |
Avetol; Cornutamin; Cornutamine; ETIN; Ergam; Ergate; Ergomar; Ergonsvine; Ergostat; Ergotamin; Ergotartrate; Exmigra; Femergin;Gynergen; Lingraine; Lingran; Migretamine; Rigetamin; Secagyn; Secupan; Temigran; Wigrettes; Ergotamine bitartrate; Ergotamine hemitartrate; Ergotamine tartrate; Gotamine tartrate; Medihaler ergotamine; Ergomar (TN); Ergotamina [INN-Spanish]; Ergotamine (INN); Ergotamine [INN:BAN]; Ergotamine tartrate (VAN); Ergotaminum [INN-Latin]; Ergoton-A; Neo-ergotin; Ergotamine, tartrate (2:1); Ergotamine tartrate, Avetol, Cornutamin, Ergam, Ergotartrate; ERGOTAMINE (SEE ALSO: ERGOTAMINE TARTRATE (CAS 379-79-3)); Ergotamine, tartrate (2:1) (salt) (8CI); Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha)-(9CI); Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1); Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt); (5'A)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman 2,3-dihydroxybutanedioate(2:1); 12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione
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| Drug Type |
Small molecular drug
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| Indication | Headache [ICD-11: 8A80-8A84] | Approved | [1], [2] | |
| Therapeutic Class |
Analgesics
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| Company |
Eli Lilly
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| Structure |
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Download2D MOL |
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| Formula |
C33H35N5O5
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| Canonical SMILES |
CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C
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| InChI |
1S/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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| InChIKey |
XCGSFFUVFURLIX-VFGNJEKYSA-N
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| CAS Number |
CAS 379-79-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7979181, 8155758, 14911400, 22425481, 29226942, 46507632, 49854759, 57324862, 77627243, 81065515, 92308838, 96024602, 103936647, 104234148, 104317260, 119501360, 121277981, 122465883, 125093281, 129668296, 134337463, 134973867, 135650239, 135668323, 137001378, 137167006, 139157560, 143093059, 152035924, 160964041, 161004879, 161004881, 170485470, 175265544, 176484204, 180057241, 226394191
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| ChEBI ID |
CHEBI:64318
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| ADReCS Drug ID | BADD_D00796 ; BADD_D00797 | |||
| SuperDrug ATC ID |
G02AB02; N02CA02
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| SuperDrug CAS ID |
cas=000113155
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| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bacteroidales | ||||
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Studied Microbe: Bacteroides coprophilus DSM 18228
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ergotamine tartrate can be metabolized by Bacteroides coprophilus DSM 18228 (log2FC = -1.956; p = 0.033). | |||
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Studied Microbe: Bacteroides fragilis str. DS-208
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ergotamine tartrate can be metabolized by Bacteroides fragilis str. DS-208 (log2FC = -1.969; p = 0.034). | |||
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Studied Microbe: Bacteroides thetaiotaomicron 7330
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|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ergotamine tartrate can be metabolized by Bacteroides thetaiotaomicron 7330 (log2FC = -1.23; p = 0.024). | |||
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Studied Microbe: Bacteroides WH2
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[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Ergotamine tartrate can be metabolized by Bacteroides WH2 (log2FC = -0.774; p = 0.017). | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adrenergic receptor Alpha-1 (ADRA1) | Target Info | Agonist | [2] |
| References | Top | |||
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| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 149). | |||
| REF 2 | Reversal of ergotamine-induced vasospasm following methylprednisolone. Clin Toxicol (Phila). 2008 Dec;46(10):1074-6. | |||
| REF 3 | Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467. | |||
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