General
Preferred name
ACEVALTRATE
Synonyms
Acevaltratum ()
Acetoxyvaltrate ()
P&D ID
PD100420
CAS
25161-41-5
Tags
drug candidate
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
0
Compound Sets
3
ChEMBL Drugs
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
480.2
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
0
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
0
cLogP
2.35
TPSA
126.96
Fraction CSP3
0.67
Chiral centers
4.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Target
Na+/K+ ATPase
Source data
