Ligand Id: 134
Ligand name methysergide

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 57.5
Molecular weight 353.21
XLogP 1.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
Approved drug? Yes (source: DrugBank)
DrugBank groups approved
IUPAC Name
(4R,7R)-N-[(2S)-1-hydroxybutan-2-yl]-6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
International Nonproprietary Names
INN number INN
1000 methysergide
Synonyms
1-Methylmethylergonovine
Deseril
Desernil
Deseryl
Methysergid
Methysergidum
Metisergide
Database Links
BindingDB Ligand 50031942
CAS Registry No. 361-37-5 (source: DrugBank)
ChEBI CHEBI:238605
ChEMBL Ligand 111004, 238605, 584020, 354330, 296927
DrugBank Ligand DB00247
PharmGKB Drug PA164743265, PA450471
PubChem CID 9681
Search on ChemSpider KPJZHOPZRAFDTN-ZRGWGRIASA-N
Wikipedia Methysergide
iPHACE LQ6JA3HS

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org