General
Preferred name
ERGOTAMINE
Synonyms
Migril ()
Gynergen ()
Cafergot ()
Femergin ()
Lingraine ()
Ergotamine D-tartrate ()
NSC-95090 ()
ERGOTAMINE TARTRATE ()
Wigrettes ()
Ergostat ()
Ergotamini tartras ()
Ergotamine bitartrate ()
Gotamine tartrate ()
NSC-41869 ()
Medihaler Ergotamine ()
Ergomar ()
P&D ID
PD009841
CAS
113-15-5
1080650-16-3
379-79-3
Tags
natural product
biased GPCR ligand
drug
available
Approved by
FDA
First approval
1948
Drug indication
Analgesic (specific in migraine)
Headache
Drug Status
approved
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Ergotamine is an ergot derived alkaloid.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
21
BiasDB
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
NCATS Inxight Approved Drugs
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Other bioactive compounds
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
50
Molecular Weight
581.26
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
8
Aromatic Ring Count
3
cLogP
1.99
TPSA
118.21
Fraction CSP3
0.42
Chiral centers
6.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
virtual
MOA
Serotonin, dopamine and epinephrine receptor agonist
Adrenergic Receptor antagonist
Indication
migraine headache
Target
ADRA1A, ADRA1B, ADRA1D, ADRA2A, ADRA2B, DRD1, DRD2, DRD5, HTR1A, HTR1B, HTR1D, HTR1E, HTR1F, HTR2A, HTR2B, HTR2C, HTR5A, HTR6, SLC6A2
Therapeutic Class
Analgesics
Source data
