Compound Detail
CHEMBL90314
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Basic Information
| ChEMBL ID | CHEMBL90314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMTZEWBUSASFDG-CYBMUJFWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.7
MW (Da)
2.78
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Kd | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Kd | = | 0.15 | nM | 9.82 | Compound was tested in vitro for its antagonistic activity against 5-hydroxytryp... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00497-0 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine