Compound Detail
CHEMBL489664
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Basic Information
| ChEMBL ID | CHEMBL489664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQFFJFYYLYTLCC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.8
MW (Da)
1.44
ALogP
6
HBA
2
HBD
64.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 7.83 | 7.83 | 14.8 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.36 | 6.3 | 436.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 14.79 | nM | 7.83 | Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells af... | 23006041 |
| Histamine H4 receptor | Ki | = | 436.52 | nM | 6.36 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 20192225 |
| Histamine H4 receptor | Ki | = | 575.44 | nM | 6.24 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 19053770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053770 | 10.1021/jm800876b | Histamine H4 receptor | 1 |
| 20192225 | 10.1021/jm901379s | Histamine H4 receptor | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine