Compound Detail
CHEMBL170853
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 | CHEMBL170853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USQZSSSTHDORLX-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.2
MW (Da)
0.50
ALogP
7
HBA
3
HBD
156.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 5.5 | 5.294 | 3200.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory activity against human placental aldose reductase in Orange A column ... | 3925146 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory activity against human placental aldose reductase in Orange A column ... | 3925146 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 4500.0 | nM | 5.35 | Inhibitory activity against human placental aldose reductase in Sepharose 4B col... | 3925146 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 7300.0 | nM | 5.14 | Inhibitory activity against human placental aldose reductase in 30 -70% (NH4)2SO... | 3925146 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 8300.0 | nM | 5.08 | Inhibitory activity against human placental aldose reductase in Sepharose 4B col... | 3925146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3925146 | 10.1021/jm00145a001 | Aldo-keto reductase family 1 member B1 | 5 |
Data from ChEMBL 36 via Core Engine