Compound Detail
CHEMBL222864
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Basic Information
| ChEMBL ID | CHEMBL222864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFRSTRKYJRGFB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
4.18
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 6.05 | nM | 8.22 | Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 c... | 15588097 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 6.05 | nM | 8.22 | Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 c... | 25128671 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Wistar Han rat hippocampal ... | 15588097 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 9.0 | nM | 8.05 | Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells af... | 25128671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 7 | 1 |
| 15588097 | 10.1021/jm049702f | 5-hydroxytryptamine receptor 1A | 1 |
| 25128671 | 10.1016/j.ejmech.2014.08.023 | 5-hydroxytryptamine receptor 7 | 1 |
| 25128671 | 10.1016/j.ejmech.2014.08.023 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine