Compound Detail
CHEMBL290472
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Basic Information
| ChEMBL ID | CHEMBL290472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGVJZGKNLFADEY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.20
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.86
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| NG108-15 CHEMBL613828 | IC50 | 6.86 | 6.86 | 139.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 20.0 | nM | 7.7 | Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor (5-HT 3 ... | 10229626 |
| NG108-15 | IC50 | = | 139.0 | nM | 6.86 | Quantitative effect on the [14C]guanidinium accumulation in NG 108-15 cells (mou... | 10229626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229626 | 10.1021/jm981112s | Serotonin 3 (5-HT3) receptor | 2 |
| 10229626 | 10.1021/jm981112s | NG108-15 | 1 |
Data from ChEMBL 36 via Core Engine