Compound Detail
CHEMBL399730
(R)-CITALOPRAM Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL399730 |
| Name | (R)-CITALOPRAM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSEQXVZVJXJVFP-HXUWFJFHSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.81
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.6
IC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 80.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 170.0 | nM | 6.77 | Inhibition of [3H]5-HT uptake by SERT primary site (S1) (unknown origin) express... | 28041833 |
| Sodium-dependent serotonin transporter | EC50 | = | 25000.0 | nM | 4.6 | Inhibition of [3H]-S-citalopram dissociation from SERT allosteric modulator site... | 28041833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28041833 | 10.1016/j.bmcl.2016.12.037 | Sodium-dependent serotonin transporter | 2 |
| 17870541 | 10.1016/j.bmc.2007.08.060 | Homo sapiens | 1 |
| 28041833 | 10.1016/j.bmcl.2016.12.037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine