Compound Detail
CHEMBL594152
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Basic Information
| ChEMBL ID | CHEMBL594152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXPCNBLIEMWMMG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
0.10
ALogP
5
HBA
1
HBD
60.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 4.74 | 4.74 | 18400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 18400.0 | nM | 4.74 | Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 ... | 19773175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19773175 | 10.1016/j.bmc.2009.08.059 | Histamine H4 receptor | 1 |
| 31280999 | 10.1016/j.bmc.2019.06.034 | Adenosine receptor A1 | 1 |
| 31280999 | 10.1016/j.bmc.2019.06.034 | Adenosine receptor A2a | 1 |
| 31280999 | 10.1016/j.bmc.2019.06.034 | Adenosine receptor A2b | 1 |
| 31280999 | 10.1016/j.bmc.2019.06.034 | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine