General
Preferred name
SPIRADOLINE
Synonyms
2016-06-07: SPIRADOLINE ()
U-62066 ()
U-62066 (mesylate) ()
P&D ID
PD014081
CAS
87151-85-7
87173-97-5
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Drug Status
investigational
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 ]]
Cell lines
0
Organisms
1
Compound Sets
7
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
424.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
1
cLogP
4.56
TPSA
32.78
Fraction CSP3
0.68
Chiral centers
3.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
OPRK1
MOA
Opioid Receptor agonist
Source data
