Compound Detail
CHEMBL4458953
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Basic Information
| ChEMBL ID | CHEMBL4458953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFBUWPILTDQBGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.9
MW (Da)
5.93
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.44
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | IC50 | 7.4 | 7.4 | 40.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 40.22 | nM | 7.4 | Antagonist activity at histamine H1 receptor (unknown origin) | 31679973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31679973 | 10.1016/j.bmcl.2019.126712 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine