Compound Detail
CHEMBL240484
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Basic Information
| ChEMBL ID | CHEMBL240484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDNMYDZHPMNIEQ-RIYZIHGNSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
264.4
MW (Da)
4.38
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| G-protein coupled receptor 52 CHEMBL3297639 | IC50 | 5.26 | 5.26 | 5450.0 | 2 |
| G-protein coupled receptor 52 CHEMBL4105791 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Displacement of [3H]PAF from rabbit PAF receptor | 17964782 |
| G-protein coupled receptor 52 | IC50 | = | 5450.0 | nM | 5.26 | Antagonist activity at GPR52 (unknown origin) expressed in HEK293 cells assessed... | 33185430 |
| G-protein coupled receptor 52 | IC50 | = | 5450.0 | nM | 5.26 | Inhibition of GPR52 (unknown origin) | 36490325 |
| G-protein coupled receptor 52 | IC50 | = | 6000.0 | nM | 5.22 | In-vivo antagonist activity at GPR52 in HdhQ140 mouse model with GPR52 knockdown... | 33443413 |
| RAW264.7 | IC50 | = | 6800.0 | nM | 5.17 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 33422907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33422907 | 10.1016/j.bmc.2020.115971 | RAW264.7 | 3 |
| 17964782 | 10.1016/j.bmcl.2007.10.054 | Unchecked | 1 |
| 33185430 | 10.1021/acs.jmedchem.0c01133 | G-protein coupled receptor 52 | 1 |
| 33443413 | 10.1021/acs.jmedchem.0c02235 | G-protein coupled receptor 52 | 1 |
| 36490325 | 10.1021/acs.jmedchem.2c00799 | G-protein coupled receptor 52 | 1 |
| 33422907 | 10.1016/j.bmc.2020.115971 | Mus musculus | 1 |
| 33422907 | 10.1016/j.bmc.2020.115971 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine