Compound Detail
CHEMBL237789
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Basic Information
| ChEMBL ID | CHEMBL237789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPSXOWDYMRQPSA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
2.69
ALogP
3
HBA
3
HBD
57.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.54 | 7.42 | 28.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 28.6 | nM | 7.54 | Displacement of [3H]DPAT from human 5HT1A receptor | 17804228 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 49.8 | nM | 7.3 | Antagonist activity at human 5HT1A expressed in mouse LM(tK-) cells assessed as ... | 17804228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17804228 | 10.1016/j.bmcl.2007.07.086 | 5-hydroxytryptamine receptor 1A | 3 |
Data from ChEMBL 36 via Core Engine