Compound Detail
CHEMBL473662
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Basic Information
| ChEMBL ID | CHEMBL473662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBHNSRTVBDSNLG-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
208.3
MW (Da)
-0.61
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.54
EC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL4468 | EC50 | 6.66 | 6.66 | 218.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.54 | 6.41 | 290.0 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.97 | 5.97 | 1080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | EC50 | = | 218.78 | nM | 6.66 | Agonist activity at rat histamine H4 receptor expressed in HEK293 cells coexpres... | 18811133 |
| Histamine H4 receptor | Ki | = | 290.0 | nM | 6.54 | Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 ... | 19773175 |
| Histamine H4 receptor | Ki | = | 530.0 | nM | 6.28 | Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 ... | 23218604 |
| Histamine H3 receptor | Ki | = | 1080.0 | nM | 5.97 | Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... | 23218604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18811133 | 10.1021/jm8005959 | Histamine H4 receptor | 3 |
| 19773175 | 10.1016/j.bmc.2009.08.059 | Histamine H4 receptor | 1 |
| 23218604 | 10.1016/j.bmcl.2012.10.139 | Histamine H3 receptor | 1 |
| 23218604 | 10.1016/j.bmcl.2012.10.139 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine