Compound Detail
CHEMBL288069
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Basic Information
| ChEMBL ID | CHEMBL288069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQLASFOWQSFVMZ-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
3.81
ALogP
4
HBA
0
HBD
19.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.24
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 8.24 | 8.24 | 5.7 | 1 |
| NG108-15 CHEMBL613828 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.34 | 5.34 | 4600.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 5.7 | nM | 8.24 | Inhibition of [3H]granisetron binding to 5-hydroxytryptamine 3 receptor of rat c... | 10229626 |
| NG108-15 | IC50 | = | 62.0 | nM | 7.21 | Quantitative effect on the [14C]guanidinium accumulation in NG 108-15 cells (mou... | 10229626 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 1500.0 | nM | 5.82 | Binding affinity against 5-hydroxytryptamine 1B receptor of rat striatum. | 10229626 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3100.0 | nM | 5.51 | Binding affinity against 5-hydroxytryptamine 2A receptor of rat pre-frontal cort... | 10229626 |
| Sodium-dependent serotonin transporter | Ki | = | 4600.0 | nM | 5.34 | Binding affinity towards Serotonin transporter was determined in rat forebrain m... | 10229626 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 12000.0 | nM | 4.92 | Binding affinity against 5-hydroxytryptamine 1A receptor of rat hippocampus tiss... | 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 |
| 10229626 | 10.1021/jm981112s | 5-hydroxytryptamine receptor 1A | 1 |
| 10229626 | 10.1021/jm981112s | 5-hydroxytryptamine receptor 1B | 1 |
| 10229626 | 10.1021/jm981112s | 5-hydroxytryptamine receptor 2A | 1 |
| 10229626 | 10.1021/jm981112s | 5-hydroxytryptamine receptor 2C | 1 |
| 10229626 | 10.1021/jm981112s | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine