Compound Detail
CHEMBL3085046
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Basic Information
| ChEMBL ID | CHEMBL3085046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAPVXZJKYMHZKL-BTTYYORXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
2.38
ALogP
5
HBA
0
HBD
72.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 5.98 | 5.98 | 1052.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 1051.96 | nM | 5.98 | Displacement of [3H]granisetron from 5HT3 receptor in Wistar rat cerebral cortex... | 15566307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15566307 | 10.1021/jm040814g | Serotonin 3 (5-HT3) receptor | 2 |
| 15566307 | 10.1021/jm040814g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine