Compound Detail
CHEMBL491366
CHRYSOSPLENOL D Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL491366 |
| Name | CHRYSOSPLENOL D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYWLLSQTJBXAPV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
2.60
ALogP
8
HBA
3
HBD
118.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 6.46 | 6.46 | 348.3 | 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 | = | 348.34 | nM | 6.46 | Inhibition of rat lens aldose reductase | 18585047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6436442 | 10.1021/np50034a026 | Aldo-keto reductase family 1 member B1 | 4 |
| 1955888 | 10.1021/np50075a029 | KB | 1 |
| 11141110 | 10.1021/np000124p | Bacillus subtilis | 1 |
| 11141110 | 10.1021/np000124p | Candida albicans | 1 |
| 11141110 | 10.1021/np000124p | Escherichia coli | 1 |
| 11141110 | 10.1021/np000124p | Mycolicibacterium smegmatis | 1 |
| 11141110 | 10.1021/np000124p | Pseudomonas aeruginosa | 1 |
| 11141110 | 10.1021/np000124p | Staphylococcus aureus | 1 |
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine