Compound Detail
CHEMBL4556946
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 | CHEMBL4556946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAYRCUVJDOKEFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.70
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KOPTK1 CHEMBL4483252 | IC50 | 5.86 | 5.86 | 1370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KOPTK1 | IC50 | = | 1370.0 | nM | 5.86 | Antiproliferative activity against human KOPTK1 cells harboring activating Notch... | 30996810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996810 | 10.1021/acsmedchemlett.8b00608 | KOPTK1 | 4 |
| 30996810 | 10.1021/acsmedchemlett.8b00608 | Neurogenic locus notch homolog protein 1 | 2 |
| 30996810 | 10.1021/acsmedchemlett.8b00608 | Jurkat | 1 |
| 30996810 | 10.1021/acsmedchemlett.8b00608 | HaCaT | 1 |
Data from ChEMBL 36 via Core Engine