Compound Detail
CHEMBL476730
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL476730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPSMUVCMXQTXND-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
2.29
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Kd 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 6.55 | 6.55 | 281.8 | 1 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Kd | 4.44 | 4.44 | 36100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 281.84 | nM | 6.55 | Inhibition of rat lens aldose reductase | 18585047 |
| Apoptosis regulator Bcl-2 | Kd | = | 36100.0 | nM | 4.44 | Binding affinity to recombinant Bcl-2 (unknown origin) expressed in Escherichia ... | 32563811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
| 32563811 | 10.1016/j.ejmech.2020.112446 | Apoptosis regulator Bcl-2 | 1 |
Data from ChEMBL 36 via Core Engine