Compound Detail
CHEMBL84290
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Basic Information
| ChEMBL ID | CHEMBL84290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJPBPRNCZIHSEV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
3.24
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 7.4 | 7.4 | 39.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 39.6 | nM | 7.4 | Binding affinity was evaluated in vitro by displacement of [3H]zacopride radioli... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81073-8 | Serotonin 3 (5-HT3) receptor | 1 |
| - | 10.1016/S0960-894X(01)81073-8 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine