Compound Detail
CHEMBL4741145
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Basic Information
| ChEMBL ID | CHEMBL4741145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRUVEPMRKNDOFH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
4.04
ALogP
5
HBA
0
HBD
45.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.23 | 8.23 | 5.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 5.84 | nM | 8.23 | Displacement of [3H]UR-PI294 from human SP-FLAG-tagged H3R expressed in HEK293T ... | 33261900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33261900 | 10.1016/j.ejmech.2020.113041 | Histamine H3 receptor | 7 |
| 33261900 | 10.1016/j.ejmech.2020.113041 | Cytochrome P450 3A4 | 1 |
| 33261900 | 10.1016/j.ejmech.2020.113041 | Histamine H1 receptor | 1 |
| 33261900 | 10.1016/j.ejmech.2020.113041 | Histamine H2 receptor | 1 |
| 33261900 | 10.1016/j.ejmech.2020.113041 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine