Compound Detail
CHEMBL4876545
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 | CHEMBL4876545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZOQFKJMAIDYBY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
3.36
ALogP
6
HBA
0
HBD
70.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.11 | 7.11 | 77.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.01 | 7.01 | 97.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.32 | 5.32 | 4754.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.0 | 5.0 | 10090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]-raclopride from human D2R expressed in human HEK293 cells | 33839253 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 77.0 | nM | 7.11 | Displacement of [3H]-5-OH-DPAT from human 5-HT1AR expressed in human HEK293 cell... | 33839253 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 97.0 | nM | 7.01 | Displacement of [3H]-5CT from human 5-HT7R expressed in human HEK293 cells | 33839253 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 4754.0 | nM | 5.32 | Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO cells | 33839253 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 10090.0 | nM | 5.0 | Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells | 33839253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 1A | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 7 | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 6 | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | D(2) dopamine receptor | 1 |
| 33839253 | 10.1016/j.bmcl.2021.128028 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine