Compound Detail
CHEMBL569595
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Basic Information
| ChEMBL ID | CHEMBL569595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTMVUGQFVUETDJ-TWGQIWQCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
1.59
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.35 | 4.35 | 44700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of recombinant GSK3-beta by ELISA | 19616957 |
| PC-3 | IC50 | = | 44700.0 | nM | 4.35 | Antimetastatic activity against human PC3 cells after 24 hrs by wound-healing as... | 20869139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20869139 | 10.1016/j.ejmech.2010.08.066 | PC-3 | 4 |
| 19616957 | 10.1016/j.bmc.2009.06.054 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine