General
Preferred name
PD046469
Synonyms
1-naphthalen-2-yl-2-pyrrolidin-1-yl-pentan-1-one ()
Naphyrone (hydrochloride) ()
Naphyrone (hydrochloride) (exempt preparation) ()
P&D ID
PD046469
CAS
850352-11-3
850352-53-3
Tags
available
drug candidate
Drug indication
Discovery agent
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
281.18
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
4.29
TPSA
20.31
Fraction CSP3
0.42
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)
Member status
virtual
MOA
Norepinephrine Transporter (NET) Inhibitors
Serotonin Transporter (SERT) Inhibitors
Dopamine Transporter (DAT) Inhibitors
Source data
