Compound Detail
CHEMBL299231
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Basic Information
| ChEMBL ID | CHEMBL299231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJOCTGQTKHSAJN-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.19
ALogP
5
HBA
0
HBD
36.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 6.93 | 6.93 | 117.5 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.69 | 6.69 | 204.2 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.43 | 6.43 | 371.5 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 6.02 | 6.02 | 955.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL3446 | IC50 | 4.6 | 4.6 | 25118.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 117.49 | nM | 6.93 | Binding affinity against 5-hydroxytryptamine 1A receptor was measured using [3H]... | 9191957 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 204.17 | nM | 6.69 | Binding affinity towards 5-hydroxytryptamine 1B receptor was measured using [3H]... | 9191957 |
| 5-hydroxytryptamine receptor 2C | IC50 | = | 371.54 | nM | 6.43 | Binding affinity against 5-Hydroxytryptamine 2C Receptor was measured using [3H]... | 9191957 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 954.99 | nM | 6.02 | Binding affinity against 5-hydroxytryptamine 1D receptor was measured using [3H]... | 9191957 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 25118.86 | nM | 4.6 | Binding affinity against 5-hydroxytryptamine 2A receptor was measured using [3H]... | 9191957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 1A | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 1B | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 1D | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 2A | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 2C | 1 |
| 9191957 | 10.1021/jm960501o | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine