Compound Detail
CHEMBL4164250
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Basic Information
| ChEMBL ID | CHEMBL4164250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBVCWAULFGDWPZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
5.25
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.49
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 2700.0 | nM | 5.57 | Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cell memb... | 29679900 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 4900.0 | nM | 5.31 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 ce... | 29679900 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 8000.0 | nM | 5.1 | Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cell me... | 29679900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29679900 | 10.1016/j.ejmech.2018.04.010 | Unchecked | 3 |
| 29679900 | 10.1016/j.ejmech.2018.04.010 | 5-hydroxytryptamine receptor 1A | 1 |
| 29679900 | 10.1016/j.ejmech.2018.04.010 | 5-hydroxytryptamine receptor 6 | 1 |
| 29679900 | 10.1016/j.ejmech.2018.04.010 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine