Compound Detail
CHEMBL3393847
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 | CHEMBL3393847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAUDUEQNUVKNBT-SOFGYWHQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.32
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 50000.0 | nM | 4.3 | Antiproliferative activity against human HCT116 cells after 48 hrs by SRB assay | 30041135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30041135 | 10.1016/j.ejmech.2018.07.037 | Saccharomyces cerevisiae | 3 |
| 25597012 | 10.1016/j.bmcl.2014.12.082 | Tyrosinase | 1 |
| 25597012 | 10.1016/j.bmcl.2014.12.082 | NON-PROTEIN TARGET | 1 |
| 30041135 | 10.1016/j.ejmech.2018.07.037 | Tumour suppressor p53/oncoprotein Mdm2 | 1 |
| 30041135 | 10.1016/j.ejmech.2018.07.037 | HCT-116 | 1 |
| 32208222 | 10.1016/j.ejmech.2020.112216 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine