Compound Detail
CHEMBL4524214
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Basic Information
| ChEMBL ID | CHEMBL4524214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIAWQVCBQLTEIY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.3
MW (Da)
3.83
ALogP
7
HBA
0
HBD
50.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.89 | 5.89 | 1288.2 | 1 |
| Psychosine receptor CHEMBL3714081 | EC50 | 5.11 | 5.11 | 7762.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1288.25 | nM | 5.89 | Antagonist activity against GPR65 D153A mutant (unknown origin) transfected in h... | 26550826 |
| Psychosine receptor | EC50 | = | 7762.47 | nM | 5.11 | Antagonist activity against GPR65 (unknown origin) transfected in human HEK293T ... | 26550826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26550826 | 10.1038/nature15699 | Unchecked | 5 |
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 26550826 | 10.1038/nature15699 | Psychosine receptor | 3 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
Data from ChEMBL 36 via Core Engine