agatoxin 489

Ligand id: 2484

Name: agatoxin 489

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 7
Rotatable bonds 23
Topological polar surface area 130.47
Molecular weight 489.38
XLogP 0.53
No. Lipinski's rules broken 2

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
N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
Synonyms
AG 489
Database Links
CAS Registry No. 128549-96-2 (source: Scifinder)
ChEMBL Ligand CHEMBL3286869
GtoPdb PubChem SID 53801092
PubChem CID 131007
Search Google for chemical match using the InChIKey LIURIBSBVUMOJS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LIURIBSBVUMOJS
Search UniChem for chemical match using the InChIKey LIURIBSBVUMOJS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LIURIBSBVUMOJS
Wikipedia Agatoxin_489