Compound Detail
CHEMBL145725
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Basic Information
| ChEMBL ID | CHEMBL145725 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGXMGJGFLBSEJW-HNNXBMFYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.9
MW (Da)
3.09
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | Ki | 9.84 | 9.555 | 0.1 | 2 |
| 5-hydroxytryptamine receptor 4 CHEMBL5017 | Ki | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.1445 | nM | 9.84 | Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H](R)-z... | - |
| 5-hydroxytryptamine receptor 3A | Ki | = | 0.537 | nM | 9.27 | Binding affinity for 5-hydroxytryptamine 3 receptor by displacement of [3H]-BRL ... | - |
| 5-hydroxytryptamine receptor 4 | Ki | = | 23.99 | nM | 7.62 | Binding affinity for 5-hydroxytryptamine 4 receptor by displacement of [3H]GR-11... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00052-2 | 5-hydroxytryptamine receptor 3A | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.1016/0960-894X(96)00052-2 | 5-hydroxytryptamine receptor 4 | 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