Compound Detail
CHEMBL3393547
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Basic Information
| ChEMBL ID | CHEMBL3393547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZJVXVCSPDDULP-WCFLAILDSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
1.88
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
Kd 1 meas. best 10.1
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Kd | 10.1 | 10.1 | 0.1 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 5.5 | 5.5 | 3162.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Kd | = | 0.07943 | nM | 10.1 | Antagonist activity at human recombinant histamine H4 receptor expressed in SK-N... | 25595684 |
| Histamine H4 receptor | Ki | = | 0.8 | nM | 9.1 | Displacement of [3H]histamine from human recombinant histamine H4 receptor | 25595684 |
| Histamine H4 receptor | EC50 | = | 3162.0 | nM | 5.5 | Agonist activity at human recombinant histamine H4 receptor expressed in SK-N-MC... | 25595684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25595684 | 10.1016/j.bmcl.2014.12.027 | Histamine H4 receptor | 3 |
Data from ChEMBL 36 via Core Engine