Compound Detail
CHEMBL4466026
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 | CHEMBL4466026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIRWUGWJNOLLRN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.72
ALogP
11
HBA
1
HBD
110.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.42 | 5.42 | 3785.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 3785.0 | nM | 5.42 | Antiproliferative activity against human HL60 cells incubated for 48 hrs by MTS ... | 31541870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31541870 | 10.1016/j.ejmech.2019.111679 | HL-60 | 1 |
| 31541870 | 10.1016/j.ejmech.2019.111679 | HCT-116 | 1 |
| 31541870 | 10.1016/j.ejmech.2019.111679 | A549 | 1 |
| 31541870 | 10.1016/j.ejmech.2019.111679 | MCF7 | 1 |
| 31541870 | 10.1016/j.ejmech.2019.111679 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine