Compound Detail
CHEMBL477181
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Basic Information
| ChEMBL ID | CHEMBL477181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUPKCDUMNJWBHZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.6
MW (Da)
5.15
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.76
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.68
Ki 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 7.68 | 7.68 | 21.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 21.0 | nM | 7.68 | Inverse agonist activity at human histamine H3 receptor expressed in CHO cells b... | 18606542 |
| Histamine H3 receptor | Ki | = | 87.0 | nM | 7.06 | Displacement of [3H]RAMH from human histamine H3 receptor expressed in CHO cells | 18606542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18606542 | 10.1016/j.bmcl.2008.06.062 | Histamine H3 receptor | 2 |
| 18606542 | 10.1016/j.bmcl.2008.06.062 | Histamine H1 receptor | 1 |
| 18606542 | 10.1016/j.bmcl.2008.06.062 | Histamine H2 receptor | 1 |
| 18606542 | 10.1016/j.bmcl.2008.06.062 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine