General
Preferred name
Barbexaclone
Synonyms
P&D ID
PD004517
CAS
4388-82-3
Tags
drug candidate
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
INDICATION Created for the treatment for epilepsy, with the intent of creating an antiepileptic with less sedative properties than phenobarbital. ;
ABSORPTION After oral administration of barbexaclone in mice the maximum plasma levels of ; prophylhexedrine appeared after 4 minutes, and propylhexedrine was seen to penetrate the blood brain barrier rapidly. ; Bioavailability (AUC oral / AUC iv) = 0.37. [3]; Phenobarbital was observed to reach the blood more slowly, and brain uptake was a slow process. ; Equilibrium concentrations with plasma reached after 30 minutes after i.v injection. [3]
HALF-LIFE After IV administration in mice, levels of phenobarbital declined exponentially with a half life of 7.5h. [3]; For propylhexedrine t0.5a = 0.31h and t0.5b = 2.5h.
MOA Phenobarbitol targets GABA receptors in the CNS. ; Propylhexedrine is a TAAR1 agonist.
TOXICITY Barbiturates are associated with congenital heart malformations, facial clefts, and other malformations. [5]; There is no available data on the use of barbexaclone in pregnancy. One case of a 36 year old women ; who used barbexaclone 300mg/day and oxcarbezine 600mg/day for 2 years before the pregnancy and 10 weeks into ; pregnancy resulted in an uncomplicated delivery and normal physical, motor, and mental development at 24 months of age. ; [5]
Compound Sets
1
DrugBank
DB09001
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
387.25
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
1
cLogP
4.95
TPSA
94.28
Fraction CSP3
0.59
Chiral centers
1.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data