argiotoxin

Ligand id: 4138

Name: argiotoxin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 28
Topological polar surface area 285.33
Molecular weight 636.41
XLogP -2.85
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(2S)-N-(5-{[3-({3-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanamido]propyl}amino)propyl]amino}pentyl)-2-[2-(2,4-dihydroxyphenyl)acetamido]butanediamide
Synonyms
argiotoxin 636
Comments
The structure shown here is representative of the argiotoxin group of compounds which are polyamine toxins extracted from the orb-weaver spider (Araneus gemma and Argiope lobata).
Database Links
CAS Registry No. 105029-41-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1098240
GtoPdb PubChem SID 178100960
PubChem CID 122294
Search Google for chemical match using the InChIKey FTNICLJXPYLDAH-GOTSBHOMSA-N
Search Google for chemicals with the same backbone FTNICLJXPYLDAH
Search UniChem for chemical match using the InChIKey FTNICLJXPYLDAH-GOTSBHOMSA-N
Search UniChem for chemicals with the same backbone FTNICLJXPYLDAH
Wikipedia Argiotoxin