Compound Detail
CHEMBL402427
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Basic Information
| ChEMBL ID | CHEMBL402427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXBRDIMYFRPBGK-TWGQIWQCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.18
ALogP
4
HBA
1
HBD
38.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 5.21 | 5.21 | 6240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 6240.0 | nM | 5.21 | Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxida... | 21129963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22077389 | 10.1021/jm201243p | Unchecked | 3 |
| 18304812 | 10.1016/j.bmcl.2008.01.117 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 18304812 | 10.1016/j.bmcl.2008.01.117 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase 1 | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Unchecked | 1 |
| 19059786 | 10.1016/j.bmc.2008.11.032 | Arylamine N-acetyltransferase | 1 |
| 21129963 | 10.1016/j.bmcl.2010.11.041 | Aldo-keto reductase family 1 member B1 | 1 |
| 22077389 | 10.1021/jm201243p | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine