Compound Detail
CHEMBL282234
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Basic Information
| ChEMBL ID | CHEMBL282234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNRZSONRAFJJSB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.62
ALogP
4
HBA
0
HBD
19.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Kd 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 6.3 | 6.3 | 501.2 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 501.19 | nM | 6.3 | The compound was evaluated for the pA2 value that was estimated using 2-methyl-5... | 8176710 |
| Serotonin 3 (5-HT3) receptor | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor | 8176710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8176710 | 10.1021/jm00035a012 | Cavia porcellus | 2 |
| 8176710 | 10.1021/jm00035a012 | Rattus norvegicus | 2 |
| 8176710 | 10.1021/jm00035a012 | Serotonin 3 (5-HT3) receptor | 2 |
| 8176710 | 10.1021/jm00035a012 | Serotonin 1 (5-HT1) receptor | 1 |
| 8176710 | 10.1021/jm00035a012 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine