Compound Detail
CHEMBL421848
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Basic Information
| ChEMBL ID | CHEMBL421848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXKWSBLKVYEGAY-NVXWUHKLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.04
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.2 | nM | 8.92 | In vitro displacement of radioactively labeled ligand [3H]8-OH-DPAT from 5-hydro... | 7861420 |
| D(2) dopamine receptor | Ki | = | 62.0 | nM | 7.21 | Displacement of [3H]U-86170 from Dopamine receptor D2 | 7861420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7861420 | 10.1021/jm00004a018 | Rattus norvegicus | 5 |
| 7861420 | 10.1021/jm00004a018 | 5-hydroxytryptamine receptor 1A | 1 |
| 7861420 | 10.1021/jm00004a018 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine