Compound Detail
CHEMBL4439144
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Basic Information
| ChEMBL ID | CHEMBL4439144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMNQGWRAUUDLTE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
3.22
ALogP
6
HBA
0
HBD
70.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.49 | 6.49 | 327.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 327.0 | nM | 6.49 | Displacement of [3H]-8-OH-DPAT from full length human cloned 5HT1A receptor expr... | 31547945 |
| D(2) dopamine receptor | Ki | = | 950.0 | nM | 6.02 | Displacement of [3H]raclopride from full length human cloned D2L receptor expres... | 31547945 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31547945 | 10.1016/j.bmcl.2019.126667 | D(2) dopamine receptor | 1 |
| 31547945 | 10.1016/j.bmcl.2019.126667 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine