Compound Detail
CHEMBL5949569
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Basic Information
| ChEMBL ID | CHEMBL5949569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSORMMUWTNPYQP-JUGYALQGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.77
ALogP
2
HBA
1
HBD
60.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| Aldo-keto reductase family 1 member C2 CHEMBL5847 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 | IC50 | = | 1050.0 | nM | 5.98 | S-Tetralol Oxidation Assay: the inhibitory potency of the individual compounds a... | - |
| Aldo-keto reductase family 1 member C2 | IC50 | = | 6300.0 | nM | 5.2 | S-Tetralol Oxidation Assay: the inhibitory potency of the individual compounds a... | - |
Data from ChEMBL 36 via Core Engine