Compound Detail
CHEMBL591189
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Basic Information
| ChEMBL ID | CHEMBL591189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPOCPUSKJUTHOU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.6
MW (Da)
2.96
ALogP
6
HBA
0
HBD
56.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.5 | nM | 9.3 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 19705871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19705871 | 10.1021/jm900706d | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine