Compound Detail
CHEMBL490644
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Basic Information
| ChEMBL ID | CHEMBL490644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIFYHUSNALLKOZ-WAYWQWQTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.11
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.94 | 7.94 | 11.5 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 11.5 | nM | 7.94 | Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in... | 19326916 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 250.0 | nM | 6.6 | Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 ... | 19326916 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19326916 | 10.1021/jm8014553 | 5-hydroxytryptamine receptor 7 | 1 |
| 19326916 | 10.1021/jm8014553 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine