Compound Detail
CHEMBL3741279
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Basic Information
| ChEMBL ID | CHEMBL3741279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDDAZGJHFOMGKH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
3.63
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.6 | 6.6 | 249.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 42.0 | nM | 7.38 | Displacement of [3H]-5-carboxyamidotryptamine from human serotonin 5-HT7B recept... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 249.0 | nM | 6.6 | Displacement of [3H]-8-OH-DPAT from human serotonin 5-HT1A receptor expressed in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00166H | 5-hydroxytryptamine receptor 7 | 1 |
| - | 10.1039/C5MD00166H | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1039/C5MD00166H | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine