Compound Detail
CHEMBL4457881
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Basic Information
| ChEMBL ID | CHEMBL4457881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHLNXAGTOHBRSE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
5.24
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.68
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.69 | 6.69 | 203.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.49 | 6.49 | 321.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 203.0 | nM | 6.69 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cell... | 31357129 |
| D(2) dopamine receptor | Ki | = | 321.0 | nM | 6.49 | Displacement of [3H]Spiperone from human D2S receptor expressed in CHOK1 cell me... | 31357129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31357129 | 10.1016/j.ejmech.2019.07.050 | D(2) dopamine receptor | 1 |
| 31357129 | 10.1016/j.ejmech.2019.07.050 | 5-hydroxytryptamine receptor 1A | 1 |
| 31357129 | 10.1016/j.ejmech.2019.07.050 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine