General
Preferred name
DESMETHYLSERTRALINE
Synonyms
(1S,4S)-N-desmethyl Sertraline (hydrochloride) ()
P&D ID
PD085666
CAS
93866-15-0
87857-41-8
675126-10-0
Tags
available
drug candidate
Drug indication
Major depressive disorder
Drug Status
experimental
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
291.06
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
4.92
TPSA
26.02
Fraction CSP3
0.25
Chiral centers
2.0
Largest ring
6.0
QED
0.79
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
