General
Preferred name
ESCITALOPRAM OXALATE
Synonyms
(S)-(+)Citalopram oxalate ()
Cipralex ()
(S)-Citalopram ()
Seroplex ()
Escitalopram (oxalate) ()
(S)-Citalopram (oxalate) ()
(S)-(+)-Citalopram (oxalate) ()
Citalopram oxalate, (s)- ()
NSC-758934 ()
LU-26-054-O ()
Escitalopram (as oxalate) ()
LU 26-054-0 ()
LU-26-054-0 ()
Lexapro ()
P&D ID
PD000557
CAS
128196-01-0
219861-08-2
Tags
natural product
drug
available
Drug Status
approved
Max Phase
Phase 4
First approval
2002
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Selective serotonin reuptake inhibitor (SSRI) (Tocriscreen Plus)
DESCRIPTION Potent 5-HT and NA reuptake inhibitor (SNRI); also blocks dopamine reuptake (Tocris Bioactive Compound Library)
Compound Sets
11
Axon Medchem Screening Library
3315
ChEMBL Approved Drugs
CHEMBL1200322
ChEMBL Drugs
CHEMBL1200322
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1200322
MedChem Express Bioactive Compound Library
HY-14258A
NIH Clinical Collections (NCC)
Prestwick Chemical Library
TargetMol Bioactive Compound Library
T6493
The Spectrum Collection
Tocris Bioactive Compound Library
4796
Tocriscreen Plus
4796
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
414.16
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
2
cLogP
2.97
TPSA
110.86
Fraction CSP3
0.32
Chiral centers
1.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Transporters
Pathway
Neuroscience
GPCR/G protein
Immunology/Inflammation
Neuronal Signaling
Target
SSRI
5-HT
Sert (Sodium-dependent)
mAChR
¦Á-adrenergic receptor
DA transporter
H1 receptor
Noradrenaline transporter (Sodium-dependent)
Primary Target
5-HT Transporters
MOA
Serotonin Transporter
5-HT Receptor inhibitor
AChR antagonist
Adrenergic Receptor agonist
Dopamine Receptor antagonist
Histamine Receptor antagonist
Norepinephrine antagonist
Inhibitor
Source data