Compound Detail
CHEMBL4210596
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Basic Information
| ChEMBL ID | CHEMBL4210596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEPRVEDPLBQHQT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.03
ALogP
6
HBA
0
HBD
63.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.39 | 6.39 | 408.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 408.0 | nM | 6.39 | Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in CHO-K1 c... | 29269256 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1350.0 | nM | 5.87 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 ce... | 29269256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29269256 | 10.1016/j.bmc.2017.12.016 | 5-hydroxytryptamine receptor 1A | 1 |
| 29269256 | 10.1016/j.bmc.2017.12.016 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine