Compound Detail
CHEMBL516320
3-OXO-29-HYDROXYFRIEDELANE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL516320 |
| Name | 3-OXO-29-HYDROXYFRIEDELANE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAOCHKKFDYTOII-MGIZKUGISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.7
MW (Da)
7.43
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.01 | 4.01 | 98000.0 | 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 | = | 98000.0 | nM | 4.01 | 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 |
| 20873773 | 10.1021/jf1022115 | Spinacia oleracea | 1 |
Data from ChEMBL 36 via Core Engine