Compound Detail
CHEMBL414208
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Basic Information
| ChEMBL ID | CHEMBL414208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNXSHPZDKZIAOV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
1.41
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 6.39 | 6.39 | 410.0 | 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 | = | 410.0 | nM | 6.39 | In vitro inhibition of human placental aldose reductase. | 1900532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26860735 | 10.1016/j.bmcl.2016.01.082 | Streptococcus mutans | 4 |
| 26860735 | 10.1016/j.bmcl.2016.01.082 | Candida albicans | 4 |
| 1900532 | 10.1021/jm00107a020 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine