Compound Detail
CHEMBL267484
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Basic Information
| ChEMBL ID | CHEMBL267484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZXBAPSDXZZRGB-CGRWFSSPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.5
MW (Da)
6.22
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 6.16 | 6.12 | 690.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 | IC50 | = | 690.0 | nM | 6.16 | Inhibition of human AKR1C3 expressed in Escherichia coli BL21(DE3) pLysS cells u... | 32463235 |
| Aldo-keto reductase family 1 member C3 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of human AKR1C3 expressed in Escherichia coli BL21(DE3) pLysS cells u... | 32463235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 32463235 | 10.1021/acs.jmedchem.9b02138 | Aldo-keto reductase family 1 member C3 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine