Compound Detail
CHEMBL122013
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Basic Information
| ChEMBL ID | CHEMBL122013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCCVCCAWSDESJE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
0.28
ALogP
3
HBA
0
HBD
37.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 7.0 | 6.835 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 100.0 | nM | 7.0 | In vitro cytotoxicity against Human Chronic Leukemia K562 cells | 8558523 |
| K562 | IC50 | = | 216.0 | nM | 6.67 | In vitro cytotoxicity tested against human chronic leukemia K562 cells | 9022802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558523 | 10.1021/jm950629q | Nucleic Acid | 2 |
| 9022802 | 10.1021/jm960492j | K562 | 1 |
| 9022802 | 10.1021/jm960492j | Unchecked | 1 |
| 8558523 | 10.1021/jm950629q | K562 | 1 |
Data from ChEMBL 36 via Core Engine