Compound Detail
CHEMBL1788285
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Basic Information
| ChEMBL ID | CHEMBL1788285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSQQQURBVYWZKJ-MRVPVSSYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
2.06
ALogP
1
HBA
2
HBD
41.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 5.86 | 5.86 | 1380.4 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 5.37 | 5.37 | 4265.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 1380.38 | nM | 5.86 | Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate | 3385733 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 4265.8 | nM | 5.37 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat fronta... | 3385733 |
| Unchecked | Ki | = | 5000.0 | nM | 5.3 | Displacement of [3H]ketanserin from rat brain 5HT2 receptor | 28244748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3385733 | 10.1021/jm00402a026 | 5-hydroxytryptamine receptor 1B | 1 |
| 3385733 | 10.1021/jm00402a026 | Serotonin 2 (5-HT2) receptor | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine