Compound Detail
CHEMBL564091
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Basic Information
| ChEMBL ID | CHEMBL564091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADSAVRZRSHDKDT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
2.44
ALogP
7
HBA
1
HBD
85.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.25 | 5.25 | 5690.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.3 | 4.3 | 50400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 720.0 | nM | 6.14 | Inhibition of PKC by PegTag assay | 19447039 |
| Glycogen synthase kinase-3 beta | IC50 | = | 5690.0 | nM | 5.25 | Inhibition of recombinant GST-tagged GSK-3beta (unknown origin) expressed in Esc... | 23994329 |
| K562 | IC50 | = | 50400.0 | nM | 4.3 | Antiproliferative activity against human K562 cells after 48 hrs by MTT assay | 19447039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19447039 | 10.1016/j.bmc.2009.04.043 | K562 | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | A549 | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | NON-PROTEIN TARGET | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | KB | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | SMMC-7721 | 1 |
| 19447039 | 10.1016/j.bmc.2009.04.043 | Unchecked | 1 |
| 23994329 | 10.1016/j.ejmech.2013.07.046 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine