Ligand Id: 206
Ligand name mesulergine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 53.93
Molecular weight 361.18
XLogP 2.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Synthetic organic
IUPAC Name
1-{6,11-dimethyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraen-4-yl}-N,N-dimethylmethanesulfonamide
Synonyms
CQ 32085
Database Links
PubChem CID 4081
Search on ChemSpider WYCMFCPHWDZHMR-UHFFFAOYSA-N
Wikipedia Mesulergine
ZINC ZINC03873777, ZINC03873774, ZINC03873775, ZINC03873776
iPHACE YKXA5T7S

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