Compound Detail
CHEMBL366350
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Basic Information
| ChEMBL ID | CHEMBL366350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIXONMQPWUMMAB-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
3.09
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.56
IC50 3 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | Ki | 5.56 | 5.03 | 2730.0 | 2 |
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 5.26 | 5.26 | 5460.0 | 1 |
| Aldo-keto reductase family 1 member C2 CHEMBL5847 | Ki | 4.33 | 4.33 | 46200.0 | 1 |
| Aldo-keto reductase family 1 member C1 CHEMBL5905 | Ki | 4.08 | 4.08 | 83600.0 | 1 |
| Aldo-keto reductase family 1 member C2 CHEMBL5847 | IC50 | 4.04 | 4.04 | 92300.0 | 1 |
| Aldo-keto reductase family 1 member C1 CHEMBL5905 | IC50 | 3.78 | 3.78 | 167200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22881866 | 10.1021/jm300841n | Aldo-keto reductase family 1 member C1 | 3 |
| 22881866 | 10.1021/jm300841n | Aldo-keto reductase family 1 member C3 | 3 |
| 22881866 | 10.1021/jm300841n | Aldo-keto reductase family 1 member C2 | 3 |
| 22881866 | 10.1021/jm300841n | Unchecked | 2 |
| 2909750 | 10.1021/jm00121a019 | Rattus norvegicus | 1 |
| 2909750 | 10.1021/jm00121a019 | Mus musculus | 1 |
| 2909750 | 10.1021/jm00121a019 | No relevant target | 1 |
| 22881866 | 10.1021/jm300841n | Aldo-keto reductase family 1 member C4 | 1 |
Data from ChEMBL 36 via Core Engine