Compound Detail
CHEMBL578844
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Basic Information
| ChEMBL ID | CHEMBL578844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNLAIHRJMZPBPK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
4.02
ALogP
6
HBA
1
HBD
79.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.17 | 9.17 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.67 | nM | 9.17 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 19705871 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.67 | nM | 9.17 | Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK2... | 20888762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19705871 | 10.1021/jm900706d | 5-hydroxytryptamine receptor 1A | 4 |
| 20888762 | 10.1016/j.bmcl.2010.09.027 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine