Compound Detail
CHEMBL4452121
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 | CHEMBL4452121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJPJWNIYTXLISE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
245.7
MW (Da)
3.70
ALogP
2
HBA
1
HBD
33.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.38 | 5.38 | 4169.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.04 | 5.04 | 9120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 42.0 | nM | 7.38 | Displacement of [3H]-5-CT from human recombinant 5-HT7B receptor expressed in HE... | 30904783 |
| 5-hydroxytryptamine receptor 6 | Ki | = | 4169.0 | nM | 5.38 | Displacement of [3H] LSD from human recombinant 5-HT6 receptor expressed in HEK2... | 30904783 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 9120.0 | nM | 5.04 | Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed ... | 30904783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 1A | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 2A | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 6 | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | 5-hydroxytryptamine receptor 7 | 1 |
| 30904783 | 10.1016/j.ejmech.2019.03.017 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine