Compound Detail
CHEMBL4745457
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 | CHEMBL4745457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPEUSYMMTPKXCU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.72
ALogP
7
HBA
4
HBD
108.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-375 CHEMBL613859 | IC50 | 5.25 | 5.25 | 5588.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 5588.0 | nM | 5.25 | Antiproliferative activity against human A-375 cells assessed as reduction in ce... | 33309473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33309473 | 10.1016/j.ejmech.2020.113031 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine