Compound Detail
CHEMBL168614
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Basic Information
| ChEMBL ID | CHEMBL168614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXWVQJJCKMIRCB-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.2
MW (Da)
1.25
ALogP
5
HBA
2
HBD
91.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 5.35 | 5.13 | 4500.0 | 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 | = | 4500.0 | nM | 5.35 | Inhibitory activity against human placental aldose reductase in 30 -70% (NH4)2SO... | 3925146 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory activity against human placental aldose reductase in Sepharose 4B col... | 3925146 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 7200.0 | nM | 5.14 | 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 Orange A column ... | 3925146 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 19000.0 | nM | 4.72 | Inhibitory activity against human placental aldose reductase in Orange A column ... | 3925146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3925146 | 10.1021/jm00145a001 | Aldo-keto reductase family 1 member B1 | 5 |
| 88523 | 10.1021/jm00192a027 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine