Compound Detail
CHEMBL186124
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Basic Information
| ChEMBL ID | CHEMBL186124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMZCMTIGPMYJKO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.97
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL4559 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.15 | 4.15 | 71000.0 | 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 | = | 14000.0 | nM | 4.85 | Inhibition of aldose reductase from pig lenses | 15456251 |
| Unchecked | IC50 | = | 71000.0 | nM | 4.15 | Inhibition of HCV H genotype 1a N-terminal hexa-histidine-tagged NS3 helicase ex... | 24467709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456251 | 10.1021/jm049756p | Aldo-keto reductase family 1 member B1 | 1 |
| 24467709 | 10.1021/jm401432c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine