Compound Detail
CHEMBL4577045
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 | CHEMBL4577045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXRZHTOESJCKFZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
3.73
ALogP
7
HBA
0
HBD
67.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CT26.WT CHEMBL4513123 | IC50 | 4.03 | 4.03 | 93300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CT26.WT | IC50 | = | 93300.0 | nM | 4.03 | Cytotoxicity against mouse CT26.WT cells after 72 hrs by MTT assay | 30654237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30654237 | 10.1016/j.ejmech.2019.01.001 | 4T1 | 1 |
| 30654237 | 10.1016/j.ejmech.2019.01.001 | CT26.WT | 1 |
| 30654237 | 10.1016/j.ejmech.2019.01.001 | BHK-21 | 1 |
Data from ChEMBL 36 via Core Engine