Compound Detail
CHEMBL3354815
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3354815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCWWILBQNYWVFM-SNVBAGLBSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
1.09
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
EC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.22 | 8.16 | 6.0 | 2 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]histamine from human recombinant histamine H4 receptor | 25455490 |
| Histamine H4 receptor | Ki | = | 8.0 | nM | 8.1 | Displacement of [3H]histamine from human recombinant histamine H4 receptor | 25595684 |
| Histamine H4 receptor | EC50 | = | 25.0 | nM | 7.6 | 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 | 2 |
| 25455490 | 10.1016/j.bmcl.2014.10.013 | No relevant target | 1 |
| 25455490 | 10.1016/j.bmcl.2014.10.013 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine