Compound Detail
CHEMBL4874969
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 | CHEMBL4874969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOHZLVJEBWAAAJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.5
MW (Da)
3.16
ALogP
4
HBA
4
HBD
118.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H2 receptor CHEMBL1941 | Ki | 5.35 | 5.35 | 4466.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 4.87 | 4.87 | 13489.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H2 receptor | Ki | = | 4466.84 | nM | 5.35 | Displacement of [3H]UR-DE257 from human histamine H2 receptor expressed in sf9 i... | 33548637 |
| Histamine H4 receptor | Ki | = | 13489.63 | nM | 4.87 | Displacement of [3H]histamine from human histamine H4 receptor expressed in sf9 ... | 33548637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H2 receptor | 5 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H1 receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H3 receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Histamine H4 receptor | 1 |
| 33548637 | 10.1016/j.ejmech.2021.113190 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine