Compound Detail
CHEMBL1277646
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Basic Information
| ChEMBL ID | CHEMBL1277646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHDGHYOEEDRIDO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
4.12
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C1 CHEMBL5905 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Aldo-keto reductase family 1 member C2 CHEMBL5847 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C1 | Ki | = | 340.0 | nM | 6.47 | Inhibition of human wild type AKR1C1 dehydrogenase activity by fluorometric assa... | 20850205 |
| Aldo-keto reductase family 1 member C2 | Ki | = | 3000.0 | nM | 5.52 | Inhibition of human AKR1C2 dehydrogenase activity by fluorometric assay | 20850205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20850205 | 10.1016/j.ejmech.2010.08.052 | Aldo-keto reductase family 1 member C1 | 1 |
| 20850205 | 10.1016/j.ejmech.2010.08.052 | Aldo-keto reductase family 1 member C2 | 1 |
| 20850205 | 10.1016/j.ejmech.2010.08.052 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine