Compound Detail
CHEMBL4857372
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Basic Information
| ChEMBL ID | CHEMBL4857372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUIYOLOCBBVEGW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
4.61
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2Y purinoceptor 14 CHEMBL4518 | IC50 | 8.31 | 8.31 | 4.8 | 1 |
| Fatty acid-binding protein, liver CHEMBL5421 | IC50 | 4.04 | 4.04 | 91340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 14 | IC50 | = | 4.85 | nM | 8.31 | Antagonist activity at P2Y14 (unknown origin) expressed in HEK293 cells assessed... | 33667846 |
| Fatty acid-binding protein, liver | IC50 | = | 91340.0 | nM | 4.04 | Inhibition of recombinant human FABP1 incubated for 3 mins by fluorescence based... | 38574638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38574638 | 10.1016/j.ejmech.2024.116358 | Fatty acid-binding protein, liver | 4 |
| 33667846 | 10.1016/j.ejmech.2021.113313 | P2Y purinoceptor 14 | 2 |
| 33667846 | 10.1016/j.ejmech.2021.113313 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine