Compound Detail
CHEMBL5619208
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Basic Information
| ChEMBL ID | CHEMBL5619208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCRYSYHONVWYKZ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
4.67
ALogP
5
HBA
1
HBD
52.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.07
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 8.0 | 8.0 | 9.9 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.4 | 7.4 | 39.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.45 | 6.45 | 358.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 8.5 | nM | 8.07 | Antagonist activity at D2R (unknown origin) by Ultra Lance assay | 38875810 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 9.9 | nM | 8.0 | Agonist activity at 5-HT1AR (unknown origin) by Ultra Lance assay | 38875810 |
| Sodium-dependent serotonin transporter | IC50 | = | 39.7 | nM | 7.4 | Inhibition of human SERT expressed in HEK293 cells incubated for 30 mins | 38875810 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 358.0 | nM | 6.45 | Antagonist activity at 5-HT2AR (unknown origin) by FLIPR assay | 38875810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38875810 | 10.1016/j.ejmech.2024.116564 | 5-hydroxytryptamine receptor 1A | 1 |
| 38875810 | 10.1016/j.ejmech.2024.116564 | D(2) dopamine receptor | 1 |
| 38875810 | 10.1016/j.ejmech.2024.116564 | 5-hydroxytryptamine receptor 2A | 1 |
| 38875810 | 10.1016/j.ejmech.2024.116564 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine