Compound Detail
CHEMBL1935572
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Basic Information
| ChEMBL ID | CHEMBL1935572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRWLDKKWXOINJS-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.69
ALogP
6
HBA
1
HBD
58.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.52
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.52 | 8.46 | 3.0 | 2 |
| Histamine H4 receptor CHEMBL3759 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 3.0 | nM | 8.52 | Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as ... | 22153663 |
| Histamine H4 receptor | Ki | = | 4.0 | nM | 8.4 | Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membr... | 22153663 |
| Histamine H4 receptor | IC50 | = | 46.0 | nM | 7.34 | Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as ... | 22153663 |
| Histamine H3 receptor | Ki | = | 63.0 | nM | 7.2 | Displacement of [3H]histamine from human H3 receptor expressed in HEK cell membr... | 22153663 |
| Histamine H1 receptor | Ki | = | 2800.0 | nM | 5.55 | Displacement of [3H]histamine from human H1 receptor expressed in HEK cell membr... | 22153663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H4 receptor | 3 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H3 receptor | 1 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H1 receptor | 1 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H2 receptor | 1 |
Data from ChEMBL 36 via Core Engine