Compound Detail
CHEMBL121687
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Basic Information
| ChEMBL ID | CHEMBL121687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCLJJIZHCFTTAO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.93
ALogP
4
HBA
0
HBD
23.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.52
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| NG108-15 CHEMBL613828 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of [3H]BRL-43694 binding to 5-hydroxytryptamine 3 receptor of rat cor... | 9357534 |
| NG108-15 | EC50 | = | 30.0 | nM | 7.52 | Effective concentration for uptake of [14C]guanidinium on NG108-15 cells | 9357534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357534 | 10.1021/jm970376w | Serotonin 3 (5-HT3) receptor | 3 |
| 9357534 | 10.1021/jm970376w | NG108-15 | 2 |
Data from ChEMBL 36 via Core Engine