Compound Detail
CHEMBL475331
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Basic Information
| ChEMBL ID | CHEMBL475331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJVGBWURWKYDCH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
0.96
ALogP
5
HBA
1
HBD
58.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 10.29 | 10.29 | 0.1 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 5.76 | 5.715 | 1737.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.05129 | nM | 10.29 | Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells af... | 23006041 |
| Histamine H4 receptor | Ki | = | 1737.8 | nM | 5.76 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 20192225 |
| Histamine H4 receptor | Ki | = | 2137.96 | nM | 5.67 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 19053770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23006041 | 10.1021/jm300801u | Unchecked | 14 |
| - | 10.6019/CHEMBL5303304 | U2OS | 9 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 4 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 3 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 1B | 1 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 3A | 1 |
| 23006041 | 10.1021/jm300801u | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 23006041 | 10.1021/jm300801u | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 23006041 | 10.1021/jm300801u | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 1A | 1 |
| 19053770 | 10.1021/jm800876b | Histamine H4 receptor | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 1D | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 2A | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 2B | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 2C | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 4 | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 6 | 1 |
| 23006041 | 10.1021/jm300801u | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine