General
Preferred name
Charybdotoxin
Synonyms
Charybdotoxin trifluoroacetate salt ()
Charybdotoxin (trifluoroacetate salt) ()
P&D ID
PD076295
CAS
95751-30-7
Tags
drug
available
Drug indication
Scorpion envenoming syndrome
Drug Status
approved
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
Charybdotoxin is a specific inhibitor of the big conductance Ca2+-activated K+ channel which is originally isolated from the scorpion L. quinquestriatus. It blocks large-conductance Ca2+-activated K+ channels (BKCas) in GH3 rat pituitary tumor cells and primary bovine aortic smooth muscle cells (Kds = 2.1 and ~2.1 nM, respectively).
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
DrugMAP
DrugMAP Approved Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
4
Molecular Weight
4292.87
Hydrogen Bond Acceptors
68
Hydrogen Bond Donors
68
Rotatable Bonds
81
Ring Count
9
Aromatic Ring Count
5
cLogP
-24.84
TPSA
1860.21
Fraction CSP3
0.61
Chiral centers
40.0
Largest ring
59.0
QED
0.01
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Solubility
Soluble to 1 mg/ml in water.
Source data
