Compound Detail
CHEMBL4585201
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Basic Information
| ChEMBL ID | CHEMBL4585201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSIAFDCOESGVDZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
5.26
ALogP
4
HBA
0
HBD
29.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 0.5 | nM | 9.3 | Inhibition of H3R (unknown origin) | 31404862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31404862 | 10.1016/j.ejmech.2019.111569 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine