lisuride   Click here for help

GtoPdb Ligand ID: 43

Synonyms: (+)-lisuride | Dopergin® | lysuride
Approved drug PDB Ligand
lisuride is an approved drug (EMA (2011))
Comment: Lisuride is an antiparkinson agent of the iso-ergoline class, acting principally as a dopamine receptor partial agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 51.37
Molecular weight 338.21
XLogP 2.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN(C(=O)NC1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)CC
Isomeric SMILES CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC
InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
InChI Key BKRGVLQUQGGVSM-KBXCAEBGSA-N
Classification Click here for help
Compound class Natural product or derivative
Approved drug? Yes (EMA (2011))
IUPAC Name Click here for help
3,3-diethyl-1-[(4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-yl]urea
International Nonproprietary Names Click here for help
INN number INN
3065 lisuride
Synonyms Click here for help
(+)-lisuride | Dopergin® | lysuride
Database Links Click here for help
BindingDB Ligand 50056445
CAS Registry No. 18016-80-3 (source: Scifinder)
ChEBI CHEBI:51164
ChEMBL Ligand CHEMBL157138
DrugBank Ligand DB00589
DrugCentral Ligand 1588
GtoPdb PubChem SID 135650525
PubChem CID 28864
RCSB PDB Ligand H8G
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Wikipedia Lisuride