Compound Detail
CHEMBL468629
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 | CHEMBL468629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MERONNUGBUIKIW-NTUHNPAUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
1
Known Names
Molecular Properties
334.3
MW (Da)
3.89
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 7.54 | 7.54 | 28.9 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 4.0 | nM | 8.4 | Cytotoxic activity against human NCI-H460 cells after 72 hrs by sulforhodamine B... | 18396857 |
| HT-29 | IC50 | = | 28.9 | nM | 7.54 | Cytotoxic activity against human HT29 cells after 72 hrs by sulforhodamine B tes... | 18396857 |
| NON-PROTEIN TARGET | IC50 | = | 4700.0 | nM | 5.33 | Antiproliferative activity against bovine microvascular endothelial cells | 18396857 |
| Unchecked | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of tubulin aggregation | 18396857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18396857 | 10.1021/jm701362m | NON-PROTEIN TARGET | 1 |
| 18396857 | 10.1021/jm701362m | Unchecked | 1 |
| 18396857 | 10.1021/jm701362m | NCI-H460 | 1 |
| 18396857 | 10.1021/jm701362m | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine