Compound Detail
CHEMBL489096
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 | CHEMBL489096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQNUZRHSIXJGLD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.2
MW (Da)
4.34
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 23000.0 | nM | 4.64 | Cytotoxicity against human HL60 cells by MTS assay | 19215087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19215087 | 10.1021/jm801278g | Unchecked | 2 |
| 19215087 | 10.1021/jm801278g | Cytochrome P450 3A4 | 1 |
| 19215087 | 10.1021/jm801278g | HL-60 | 1 |
| 19215087 | 10.1021/jm801278g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine