Compound Detail
CHEMBL402213
REGEOL A Enter ChEMBL ID:
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Cc1c(O)c(O)cc2c1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL402213 |
| Name | REGEOL A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKARAOWYAAUAFW-MGRBCSRPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
5.42
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.52 | 4.52 | 30000.0 | 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 | = | 30000.0 | nM | 4.52 | Inhibition of aldose reductase in rat lens homogenate | 14510595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14510595 | 10.1021/np0301543 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine