General
Preferred name
Anatoxin-a
Synonyms
(+/-)-ANATOXIN A FUMARATE ()
Anatoxin-A,(+) ()
(±)-Anatoxin A fumarate ()
(±)-Anatoxin A (fumarate) ()
P&D ID
PD074507
CAS
64285-06-9
1219922-30-1
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
(±)-Anatoxin A fumarate is a secondary, bicyclic amine alkaloid isolated from the blue-green alga A. aquae. It has cyanotoxin with acute neurotoxicity and could cause loss of coordination, muscular fasciculations, convulsions and death by respiratory paralysis. It displays high affinity for nicotinic acetylcholine receptors with Kd value of 0.1-0.2 μM. It binds to α4β2- and α7-type nicotinic receptors with Ki values of 1.3 nM and 1.8 μM, respectively. It stimulates [3H]-dopamine release from striatal synaptosomes with an EC50 value of 134 nM.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
4
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
DrugMatrix
Ki Database
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Molecular Weight
165.12
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
0
cLogP
1.42
TPSA
29.1
Fraction CSP3
0.7
Chiral centers
2.0
Largest ring
7.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
