Compound Detail
CHEMBL1914541
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Basic Information
| ChEMBL ID | CHEMBL1914541 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVIRRGQITQLYFH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.8
MW (Da)
2.36
ALogP
6
HBA
1
HBD
71.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.7
Ki 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Histamine H4 receptor CHEMBL3759 | Kd | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 0.1 | nM | 10.0 | Displacement of [3H]histamine from recombinant human histamine H4 receptor | 21920744 |
| Histamine H4 receptor | Kd | = | 1.995 | nM | 8.7 | Antagonist activity at recombinant human histamine H4 receptor | 21920744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21920744 | 10.1016/j.bmcl.2011.08.014 | Histamine H4 receptor | 2 |
| 21920744 | 10.1016/j.bmcl.2011.08.014 | Liver microsomes | 2 |
Data from ChEMBL 36 via Core Engine