Compound Detail
CHEMBL403242
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 | CHEMBL403242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHRUZGVMGHZEGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
389.8
MW (Da)
4.56
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6000.0 | nM | 5.22 | Cytotoxicity against human HL60/TX1000 cells after 72 hrs by MTT assay | 18308566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18308566 | 10.1016/j.bmcl.2008.02.029 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine