Compound Detail
CHEMBL2333805
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
Basic Information
| ChEMBL ID | CHEMBL2333805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOESXQFGHNEYAH-RUDMXATFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.00
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KOPTK1 CHEMBL4483252 | IC50 | 5.72 | 5.72 | 1910.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.28 | 5.28 | 5240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KOPTK1 | IC50 | = | 1910.0 | nM | 5.72 | Antiproliferative activity against human KOPTK1 cells harboring activating Notch... | 30996810 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 5240.0 | nM | 5.28 | Inhibition of Rattus norvegicus (rat) lens aldose reductase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996810 | 10.1021/acsmedchemlett.8b00608 | Neurogenic locus notch homolog protein 1 | 2 |
| 30996810 | 10.1021/acsmedchemlett.8b00608 | KOPTK1 | 2 |
| - | 10.1007/s00044-012-0367-5 | Aldo-keto reductase family 1 member B1 | 1 |
| 23369537 | 10.1016/j.bmcl.2012.12.096 | HEK293 | 1 |
| 23369537 | 10.1016/j.bmcl.2012.12.096 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine