Compound Detail
CHEMBL4093087
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4093087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZCUZHMZOLSHJA-NRFANRHFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.20
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.11
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | EC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 280.0 | nM | 6.55 | Displacement of [3H]-S-citalopram from human SERT primary site (S1) expressed in... | 28041833 |
| Sodium-dependent serotonin transporter | EC50 | = | 7700.0 | nM | 5.11 | Inhibition of [3H]-S-citalopram dissociation from human SERT allosteric modulato... | 28041833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28041833 | 10.1016/j.bmcl.2016.12.037 | Sodium-dependent serotonin transporter | 2 |
| 28041833 | 10.1016/j.bmcl.2016.12.037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine