General
Preferred name
PYROVALERONE HYDROCHLORIDE
Synonyms
SP-1059 ()
F 1983 ()
F-1983 ()
Thymergix ()
Pyrovalerone HCl ()
Centroton ()
P&D ID
PD051463
CAS
1147-62-2
Tags
available
drug
Drug Status
approved
withdrawn
Max Phase
4.0
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
2
ChEMBL Approved Drugs
ChEMBL Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
281.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
3.86
TPSA
20.31
Fraction CSP3
0.56
Chiral centers
1.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
