General
Preferred name
MCN 5652
Synonyms
(±)-McN 5652 ()
P&D ID
PD021771
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
Potent, orally active 5-HT uptake inhibitor. Also inhibits noradrenalin and dopamine uptake in vitro
(Tocriscreen Total)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
3
Drug Repurposing Hub
ReFrame library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Molecular Weight
295.14
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
2
cLogP
4.69
TPSA
3.24
Fraction CSP3
0.37
Chiral centers
2.0
Largest ring
6.0
QED
0.74
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
MOA
selective serotonin reuptake inhibitor (SSRI)
Source data
