Compound Detail
CHEMBL507495
CELAHIN C 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
CC(=O)OC[C@]12[C@@H](OC(=O)c3ccccc3)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(C)=O)[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL507495 |
| Name | CELAHIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPZUYBGWJJYLAL-NHJLZMLCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
2.59
ALogP
10
HBA
1
HBD
134.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.02 | 4.02 | 95000.0 | 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 | = | 95000.0 | nM | 4.02 | 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 |
| 18471021 | 10.1021/np800097t | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine