Compound Detail
CHEMBL1271378
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Basic Information
| ChEMBL ID | CHEMBL1271378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLQLHEGROOQNRO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
394.8
MW (Da)
5.20
ALogP
5
HBA
3
HBD
91.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.73 | 4.73 | 18700.0 | 1 |
| PH domain leucine-rich repeat-containing protein phosphatase 2 CHEMBL1275209 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 18700.0 | nM | 4.73 | Antiproliferative activity against human K562 cells after 48 hrs by MTT assay | 21576023 |
| PH domain leucine-rich repeat-containing protein phosphatase 2 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli | 20836557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20836557 | 10.1021/jm100331d | PH domain leucine-rich repeat-containing protein phosphatase 2 | 1 |
| 20836557 | 10.1021/jm100331d | Unchecked | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | Vascular endothelial growth factor receptor 2 | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | K562 | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | HepG2 | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | MCF7 | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine