Compound Detail
CHEMBL1416204
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Basic Information
| ChEMBL ID | CHEMBL1416204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYPCGXKCQDYTFV-ZETCQYMHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
1.76
ALogP
2
HBA
3
HBD
62.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | Ki | 7.34 | 7.34 | 45.7 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 6.01 | 6.01 | 977.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 45.71 | nM | 7.34 | Displacement of [3H]5-HT from 5-HT1B receptor of rat frontal cortex homogenate | 3385733 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 977.24 | nM | 6.01 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat fronta... | 3385733 |
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 |
Data from ChEMBL 36 via Core Engine