Compound Detail
CHEMBL1910383
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Basic Information
| ChEMBL ID | CHEMBL1910383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDNLJMLLYBSJEB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
4.73
ALogP
3
HBA
1
HBD
48.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 6.65 | 6.65 | 223.9 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 4.75 | 4.75 | 17782.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 223.87 | nM | 6.65 | Displacement of [3H]mepyramine from human H1R expressed in Sf9 cells co-expressi... | 21944853 |
| Histamine H4 receptor | Ki | = | 17782.79 | nM | 4.75 | Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressin... | 21944853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21944853 | 10.1016/j.bmcl.2011.09.001 | Histamine H1 receptor | 3 |
| 21944853 | 10.1016/j.bmcl.2011.09.001 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine