bicuculline

Ligand id: 2312

Name: bicuculline

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 66.46
Molecular weight 367.11
XLogP 2.51
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Ligand Activity Visualisation Charts

These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.

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View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Classification
Compound class Natural product or derivative
IUPAC Name
(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
Synonyms
bicuculline methiodide
Database Links
BindingDB Ligand 50000693
CAS Registry No. 485-49-4
ChEBI CHEBI:3092
ChEMBL Ligand CHEMBL417990
GtoPdb PubChem SID 135652669
PubChem CID 10237
RCSB PDB Ligand H0Z
Search Google for chemical match using the InChIKey IYGYMKDQCDOMRE-ZWKOTPCHSA-N
Search Google for chemicals with the same backbone IYGYMKDQCDOMRE
Search UniChem for chemical match using the InChIKey IYGYMKDQCDOMRE-ZWKOTPCHSA-N
Search UniChem for chemicals with the same backbone IYGYMKDQCDOMRE
Wikipedia Bicuculline

Product suppliers

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Tocris
(+)-Bicuculline
Cat. No. 0130