Compound Detail
CHEMBL4865282
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 | CHEMBL4865282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJGSRVUPKIXAOI-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
5.27
ALogP
2
HBA
1
HBD
45.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.19 | 4.87 | 6450.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6450.0 | nM | 5.19 | Antiproliferative activity against human HCT116 cells assessed as growth inhibit... | 33744440 |
| Unchecked | IC50 | = | 17410.0 | nM | 4.76 | Antiproliferative activity against human A549 cells assessed as growth inhibitio... | 33744440 |
| Unchecked | IC50 | = | 22150.0 | nM | 4.66 | Antiproliferative activity against human MDA-MB-231 cells assessed as growth inh... | 33744440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33744440 | 10.1016/j.bmcl.2021.127954 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine