Compound Detail
CHEMBL136536
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Basic Information
| ChEMBL ID | CHEMBL136536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVPNSMFTWVNMPO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.5
MW (Da)
4.12
ALogP
4
HBA
0
HBD
23.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.06
EC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | IC50 | 8.06 | 8.06 | 8.8 | 1 |
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | IC50 | = | 8.8 | nM | 8.06 | Binding affinity against 5-hydroxytryptamine 3 (5-HT3) receptor from rat cortica... | 10543880 |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 8.8 | nM | 8.06 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19831400 |
| Serotonin 3 (5-HT3) receptor | EC50 | = | 12.0 | nM | 7.92 | Effective concentration against 5-Hydroxytryptamine 3 receptor by measuring [14C... | 10543880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543880 | 10.1021/jm990151g | Serotonin 3 (5-HT3) receptor | 2 |
| 10543880 | 10.1021/jm990151g | NG108-15 | 1 |
| 19831400 | 10.1021/jm901126m | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine