Compound Detail
CHEMBL4581995
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Basic Information
| ChEMBL ID | CHEMBL4581995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMSCKNWFTAMGNX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.0
MW (Da)
5.18
ALogP
5
HBA
1
HBD
54.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 11.97 | nM | 7.92 | 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