Compound Detail
CHEMBL417957
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Basic Information
| ChEMBL ID | CHEMBL417957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOPDXWXKMSAABA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.52
ALogP
3
HBA
2
HBD
46.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.8 | 7.4 | 16.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.93 | 5.93 | 1180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 16.0 | nM | 7.8 | Affinity against 5-hydroxytryptamine 2A receptor (D) labeled with [125I]DOI. | 8027974 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 100.0 | nM | 7.0 | Affinity against 5-hydroxytryptamine 2A receptor (K) labeled with [3H]ketanserin... | 8027974 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1180.0 | nM | 5.93 | Affinity against 5-hydroxytryptamine 2C receptor in J1 cells transfected with th... | 8027974 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8027974 | 10.1021/jm00039a004 | 5-hydroxytryptamine receptor 2A | 2 |
| 8027974 | 10.1021/jm00039a004 | Unchecked | 2 |
| 8027974 | 10.1021/jm00039a004 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine