Compound Detail
CHEMBL261010
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Basic Information
| ChEMBL ID | CHEMBL261010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFXVTQDGTKEXHF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
262.7
MW (Da)
2.04
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 10.4 | 10.4 | 0.0 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2111332 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.64 | 6.64 | 229.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.04 | nM | 10.4 | Displacement of [3H]granisetron from human 5-HT3A receptor expressed in HEK293 c... | 28606760 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 22.0 | nM | 7.66 | Displacement of [3H]granisetron from human 5-HT3AB receptor expressed in HEK293 ... | 28606760 |
| Histamine H4 receptor | Ki | = | 229.09 | nM | 6.64 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 18357976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18357976 | 10.1021/jm7014217 | Histamine H4 receptor | 1 |
| 28606760 | 10.1016/j.bmcl.2017.04.073 | Serotonin 3 (5-HT3) receptor | 1 |
| 28606760 | 10.1016/j.bmcl.2017.04.073 | 5-hydroxytryptamine receptor 3A | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine