General
Preferred name
APROBARBITAL
Synonyms
Alurate ()
NSC-120769 ()
Allypropymal ()
P&D ID
PD009539
CAS
77-02-1
Tags
natural product
drug
Drug indication
Anaesthesia
Insomnia
Drug Status
experimental
illicit
approved
withdrawn
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 ]]
Compound Sets
8
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
210.1
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
0
cLogP
0.57
TPSA
75.27
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
ATC
N05CA05
Toxicity type
respiratory
Therapeutic Class
Anticonvulsants
Source data
