Compound Detail
CHEMBL470790
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Basic Information
| ChEMBL ID | CHEMBL470790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUDXEVBPMISDEU-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
1.62
ALogP
3
HBA
4
HBD
93.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.6
Kd 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.8 | 7.8 | 15.8 | 1 |
| Histamine H2 receptor CHEMBL1941 | EC50 | 7.2 | 7.2 | 63.1 | 1 |
| Histamine H2 receptor CHEMBL2882 | EC50 | 6.78 | 6.78 | 166.0 | 1 |
| Histamine H1 receptor CHEMBL3943 | Kd | 5.67 | 5.67 | 2138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 2.512 | nM | 8.6 | Agonist activity at human histamine H3 receptor expressed in Sf9 cells coexpress... | 21044842 |
| Histamine H4 receptor | EC50 | = | 15.85 | nM | 7.8 | Agonist activity at human recombinant histamine H4 receptor expressed in Sf9 cel... | 21044842 |
| Histamine H2 receptor | EC50 | = | 63.1 | nM | 7.2 | Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpress... | 21044842 |
| Histamine H2 receptor | EC50 | = | 165.96 | nM | 6.78 | Agonist activity at histamine H2 receptor in guinea pig spontaneously beating ri... | 18950149 |
| Histamine H1 receptor | Kd | = | 2137.96 | nM | 5.67 | Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inh... | 18950149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18950149 | 10.1021/jm800841w | Histamine H2 receptor | 3 |
| 18950149 | 10.1021/jm800841w | Histamine H1 receptor | 2 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H2 receptor | 2 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H3 receptor | 2 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H4 receptor | 2 |
Data from ChEMBL 36 via Core Engine