Compound Detail
CHEMBL158780
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Basic Information
| ChEMBL ID | CHEMBL158780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUTKMGMMFJXIDV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.46
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.5 | 7.5 | 32.0 | 2 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.76 | 6.76 | 175.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 32.0 | nM | 7.5 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor expressed NI... | 11266163 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 32.0 | nM | 7.5 | Displacement of [3H]ketanserin from human 5HT2A receptor expressed in cells | 19700330 |
| Histamine H1 receptor | Ki | = | 175.0 | nM | 6.76 | Displacement of [3H]chlorphniramine from human histamine H1 receptor expressed i... | 19700330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266163 | 10.1016/s0960-894x(01)00023-3 | 5-hydroxytryptamine receptor 2A | 1 |
| 19700330 | 10.1016/j.bmc.2009.08.016 | 5-hydroxytryptamine receptor 2A | 1 |
| 19700330 | 10.1016/j.bmc.2009.08.016 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine