Compound Detail
CHEMBL1806644
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 | CHEMBL1806644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRBYXUMXRBXLEA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.50
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.37 | 5.37 | 4246.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 5.14 | 5.14 | 7232.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 4246.0 | nM | 5.37 | Anticancer activity against mouse P388D1 cells by MTT assay | 21570750 |
| COLO 205 | IC50 | = | 7232.0 | nM | 5.14 | Anticancer activity against human COLO205 cells by MTT assay | 21570750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21570750 | 10.1016/j.ejmech.2011.04.042 | NON-PROTEIN TARGET | 2 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | A549 | 1 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | COLO 205 | 1 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | K562 | 1 |
| 21570750 | 10.1016/j.ejmech.2011.04.042 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine