Compound Detail
CHEMBL349562
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Basic Information
| ChEMBL ID | CHEMBL349562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHGUVIUZDTUVKZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
204.3
MW (Da)
1.04
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.68 | 4.68 | 20700.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 20700.0 | nM | 4.68 | Displacement of [3H]spiperone from 5-hydroxytryptamine 1 receptor of rat cortex | 3701781 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 49000.0 | nM | 4.31 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortex | 3701781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3701781 | 10.1021/jm00155a008 | Unchecked | 1 |
| 3701781 | 10.1021/jm00155a008 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine