Compound Detail
CHEMBL110317
ACETRYPTINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL110317 |
| Name | ACETRYPTINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RAUGYAOLAMRLLZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
4
Known Names
Molecular Properties
202.3
MW (Da)
1.87
ALogP
2
HBA
2
HBD
58.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 3 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 8.13 | 8.13 | 7.4 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.01 | 8.01 | 9.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.3 | nM | 8.89 | In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]8-OH-DP... | 8568822 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 7.4 | nM | 8.13 | Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta | 8568822 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 9.7 | nM | 8.01 | Binding affinity towards 5-hydroxytryptamine 1D receptor was determined in calf ... | 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 |
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine