Compound Detail
CHEMBL17740
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Basic Information
| ChEMBL ID | CHEMBL17740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVOCXQUIZNWEMU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
201.3
MW (Da)
1.74
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 630.96 | nM | 6.2 | Displacement of [3H]histamine from human H4R receptor expressed in HEK293 cells ... | 21782429 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6128418 | 10.1021/jm00352a014 | Histamine H2 receptor | 4 |
| 6128418 | 10.1021/jm00352a014 | Histamine H1 receptor | 1 |
| 21782429 | 10.1016/j.bmcl.2011.06.123 | Histamine H4 receptor | 1 |
| 21782429 | 10.1016/j.bmcl.2011.06.123 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine