Compound Detail
CHEMBL321190
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Basic Information
| ChEMBL ID | CHEMBL321190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBGZQBKCTZAIMW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
4.93
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.03 | 8.03 | 9.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 1.1 | nM | 8.96 | Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta | 8568822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 9.3 | nM | 8.03 | 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 1A | 1 |
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1B | 1 |
Data from ChEMBL 36 via Core Engine