Compound Detail
CHEMBL593988
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Basic Information
| ChEMBL ID | CHEMBL593988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGIIUKGHECNJNZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.4
MW (Da)
3.67
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.08 | 7.08 | 84.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]chlorphniramine from human histamine H1 receptor expressed i... | 19700330 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 84.0 | nM | 7.08 | Displacement of [3H]ketanserin from human 5HT2A receptor expressed in cells | 19700330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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