Compound Detail
CHEMBL487612
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Basic Information
| ChEMBL ID | CHEMBL487612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBRZRNRAYCSTKB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.90
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 4.41 | 4.41 | 39200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against mouse L1210 cells after 24 hrs | 3404149 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 39200.0 | nM | 4.41 | Inhibition of aldose reductase (unknown origin) using DL-glyceraldehyde as subst... | 32711292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3404149 | 10.1021/np50057a011 | Unchecked | 4 |
| 3404149 | 10.1021/np50057a011 | L1210 | 2 |
| 3404149 | 10.1021/np50057a011 | P388 | 1 |
| 32711292 | 10.1016/j.ejmech.2020.112530 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine