Compound Detail
CHEMBL309819
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Basic Information
| ChEMBL ID | CHEMBL309819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCHABOYVLKVMMV-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
1.63
ALogP
2
HBA
3
HBD
53.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.4
EC50 1 meas. best 7.0
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Histamine H3 receptor CHEMBL5076 | Kd | 7.4 | 7.4 | 39.8 | 2 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 25.12 | nM | 7.6 | Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9... | 21044842 |
| Histamine H3 receptor | Kd | = | 39.81 | nM | 7.4 | In vitro inhibitory effect of histamine H3 antagonist on the electrically evoked... | 7783156 |
| Histamine H3 receptor | Kd | = | 39.81 | nM | 7.4 | Agonist activity at histamine H3 receptor in guinea pig ileum | 21044842 |
| Histamine H4 receptor | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells... | 21044842 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H4 receptor | 3 |
| 7783156 | 10.1021/jm00012a025 | Histamine H3 receptor | 1 |
| 21044842 | 10.1016/j.bmcl.2010.10.041 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine