Compound Detail
CHEMBL3928021
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Basic Information
| ChEMBL ID | CHEMBL3928021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNCRUNXWPDJHGV-BQYQJAHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
162.2
MW (Da)
2.17
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 5.19 | 5.19 | 6400.0 | 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 | = | 6400.0 | nM | 5.19 | Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversi... | - |
Data from ChEMBL 36 via Core Engine