Compound Detail
CHEMBL43193
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Basic Information
| ChEMBL ID | CHEMBL43193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVJIBTNUNUXAIO-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.14
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.72
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 8.72 | 8.72 | 1.9 | 3 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| NG108-15 CHEMBL613828 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 1.9 | nM | 8.72 | Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 ... | 9513601 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 1.905 | nM | 8.72 | Binding affinity at 5-hydroxytryptamine 3 receptor in rat cortical membrane by [... | 9513601 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 1.9 | nM | 8.72 | Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor of rat c... | 10229626 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 1.9 | nM | 8.72 | Binding affinity towards 5-hydroxytryptamine 3 receptor | 12217367 |
| NG108-15 | EC50 | = | 10.0 | nM | 8.0 | Quantitative effect on the [14C]guanidinium accumulation in NG 108-15 cells (mou... | 10229626 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12217367 | 10.1016/s0960-894x(02)00514-0 | Serotonin 3 (5-HT3) receptor | 3 |
| 9513601 | 10.1021/jm970645i | Serotonin 3 (5-HT3) receptor | 2 |
| 10229626 | 10.1021/jm981112s | Serotonin 3 (5-HT3) receptor | 2 |
| 10229626 | 10.1021/jm981112s | NG108-15 | 1 |
| 24486416 | 10.1016/j.ejmech.2014.01.005 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine