General
Preferred name
PYROVALERONE
Synonyms
Pyrovalerone HCl ()
PYROVALERONE HYDROCHLORIDE ()
Pyrovalerone (hydrochloride) ()
J8.659B ()
Pirovalerona ()
SP-1059 ()
F 1983 ()
F-1983 ()
Thymergix ()
Centroton ()
P&D ID
PD019542
CAS
3563-49-3
1147-62-2
Tags
available
drug
Drug indication
Discovery agent
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withdrawn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
11
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMatrix
Ki Database
LSP-MoA library (Laboratory of Systems Pharmacology)
ReFrame library
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
245.18
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
3.44
TPSA
20.31
Fraction CSP3
0.56
Chiral centers
1.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
ATC
N
Toxicity type
hematological
multiple
Source data
