Compound Detail
CHEMBL281576
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Basic Information
| ChEMBL ID | CHEMBL281576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJUVWGBVEFRHCN-UHFFFAOYSA-N |
3
Targets
7
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
184.3
MW (Da)
0.97
ALogP
3
HBA
3
HBD
78.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.6
EC50 2 meas. best 9.3
Kd 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.6 | 8.55 | 2.5 | 2 |
| Histamine H4 receptor CHEMBL3759 | Ki | 8.0 | 7.95 | 10.0 | 2 |
| Histamine H3 receptor CHEMBL5076 | Kd | 8.0 | 8.0 | 10.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 0.5012 | nM | 9.3 | Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells... | 21044842 |
| Histamine H3 receptor | Ki | = | 2.512 | nM | 8.6 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 19414267 |
| Histamine H3 receptor | Ki | = | 3.162 | nM | 8.5 | Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expr... | 21044842 |
| Histamine H3 receptor | Kd | = | 10.0 | nM | 8.0 | pA2 values against H3 receptor of guinea pig ileum were determined. | 7830269 |
| Histamine H4 receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9... | 21044842 |
| Histamine H4 receptor | EC50 | = | 12.59 | nM | 7.9 | Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells... | 21044842 |
| Histamine H4 receptor | Ki | = | 12.59 | nM | 7.9 | Displacement of [3H]histamine from human histamine H4 receptor expressed in huma... | 19414267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H4 receptor | 3 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H3 receptor | 3 |
| 19414267 | 10.1016/j.bmc.2009.04.007 | Histamine H4 receptor | 2 |
| 6120235 | 10.1021/jm00140a001 | Rattus norvegicus | 1 |
| 7830269 | 10.1021/jm00002a008 | Histamine H3 receptor | 1 |
| 19414267 | 10.1016/j.bmc.2009.04.007 | Histamine H3 receptor | 1 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine