Compound Detail
CHEMBL326667
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Basic Information
| ChEMBL ID | CHEMBL326667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTTOQYQUAVKRPY-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
4.41
ALogP
2
HBA
2
HBD
51.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 9.0 | 8.76 | 1.0 | 2 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.32 | 6.91 | 48.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta | 8568822 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 1.6 | nM | 8.8 | In vitro affinity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]5-HT... | 8568822 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 3.0 | nM | 8.52 | Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta | 8568822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 48.0 | nM | 7.32 | In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]8-OH-DP... | 8568822 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 315.0 | nM | 6.5 | 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 | 2 |
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1B | 2 |
| 8568822 | 10.1021/jm950498t | Unchecked | 2 |
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1D | 2 |
Data from ChEMBL 36 via Core Engine