Compound Detail
CHEMBL2012356
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 | CHEMBL2012356 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSQTTZBVVBJTKP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.94
ALogP
7
HBA
0
HBD
58.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.11 | 4.11 | 77470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 77470.0 | nM | 4.11 | Cytotoxicity against human K562 cells after 72 hrs by MTS assay | 22405646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22405646 | 10.1016/j.ejmech.2012.02.034 | NON-PROTEIN TARGET | 1 |
| 22405646 | 10.1016/j.ejmech.2012.02.034 | K562 | 1 |
Data from ChEMBL 36 via Core Engine