Compound Detail
CHEMBL4759987
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 | CHEMBL4759987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITJPHIRLLQQDSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
6.55
ALogP
3
HBA
1
HBD
43.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.49 | 5.49 | 3220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 3220.0 | nM | 5.49 | Antiproliferative activity against human HCT116 cells assessed as cell viability... | 33038796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33038796 | 10.1016/j.ejmech.2020.112873 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine