Compound Detail
CHEMBL1770987
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 | CHEMBL1770987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGLCVBMHZYOWIQ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
1.17
ALogP
6
HBA
2
HBD
70.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.8
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]histamine from human histamine H4 receptor | 21458260 |
| Histamine H4 receptor | EC50 | = | 16.0 | nM | 7.8 | Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells... | 21458260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21458260 | 10.1016/j.bmcl.2011.03.017 | Histamine H4 receptor | 3 |
Data from ChEMBL 36 via Core Engine