Compound Detail
CHEMBL490073
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Basic Information
| ChEMBL ID | CHEMBL490073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGBKKIVDGBAYTK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
319.8
MW (Da)
2.86
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 6.78 | 6.78 | 166.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.12 | 6.12 | 758.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 165.96 | nM | 6.78 | Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells af... | 23006041 |
| Histamine H4 receptor | Ki | = | 758.58 | nM | 6.12 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 19053770 |
| Histamine H4 receptor | Ki | = | 758.58 | nM | 6.12 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 20192225 |
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