Compound Detail
CHEMBL2012362
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Basic Information
| ChEMBL ID | CHEMBL2012362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTDFOLOHMQTICY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
4.39
ALogP
7
HBA
0
HBD
58.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.47 | 4.47 | 34110.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.34 | 4.34 | 45360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 34110.0 | nM | 4.47 | Cytotoxicity against human K562/A02 cells expressing p-glycoprotein after 72 hrs... | 22405646 |
| K562 | IC50 | = | 45360.0 | nM | 4.34 | 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 | ATP-dependent translocase ABCB1 | 4 |
| 22405646 | 10.1016/j.ejmech.2012.02.034 | K562 | 3 |
| 22405646 | 10.1016/j.ejmech.2012.02.034 | NON-PROTEIN TARGET | 1 |
| 22405646 | 10.1016/j.ejmech.2012.02.034 | Unchecked | 1 |
| 22405646 | 10.1016/j.ejmech.2012.02.034 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine