Compound Detail
CHEMBL418823
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Basic Information
| ChEMBL ID | CHEMBL418823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLJYSJYQCDMRRG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
358.6
MW (Da)
6.23
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.87 | 6.87 | 135.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.65 | 6.65 | 223.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.81 | 5.81 | 1550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 135.0 | nM | 6.87 | Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta | 8568822 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 223.0 | nM | 6.65 | In vitro affinity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]5-HT... | 8568822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1550.0 | nM | 5.81 | In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]8-OH-DP... | 8568822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1D | 2 |
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1A | 1 |
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1B | 1 |
| 8568822 | 10.1021/jm950498t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine