General
Preferred name
GYKI 52895
Synonyms
P&D ID
PD015123
CAS
114460-08-1
Tags
available
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Selective dopamine reuptake inhibitor; antiparkinsonian; antidepressant
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
2
LOPAC library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Molecular Weight
295.13
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
2
cLogP
2.28
TPSA
68.87
Fraction CSP3
0.24
Chiral centers
1.0
Largest ring
7.0
QED
0.79
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Reuptake
Source data
