Compound Detail
CHEMBL4440139
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Basic Information
| ChEMBL ID | CHEMBL4440139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCZVSRKERIIHOL-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
2.46
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.91 | 5.91 | 1231.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 5.05 | 4.74 | 8900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1231.0 | nM | 5.91 | Inhibition of recombinant human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as ... | 30902399 |
| Glycogen synthase kinase-3 beta | IC50 | = | 1231.0 | nM | 5.91 | Inhibition of recombinant human GSK3beta (636 to 661 residues) assessed as reduc... | 37054760 |
| Homo sapiens | IC50 | = | 8900.0 | nM | 5.05 | Antiplatelet activity in platelet rich plasma (unknown origin) assessed as inhib... | 37054760 |
| Homo sapiens | IC50 | = | 37000.0 | nM | 4.43 | Antiplatelet activity in platelet rich plasma (unknown origin) assessed as inhib... | 37054760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30902399 | 10.1016/j.bmc.2019.03.028 | Glycogen synthase kinase-3 beta | 2 |
| 37054760 | 10.1016/j.bmcl.2023.129283 | Glycogen synthase kinase-3 beta | 2 |
| 37054760 | 10.1016/j.bmcl.2023.129283 | Homo sapiens | 2 |
| 30902399 | 10.1016/j.bmc.2019.03.028 | PBMC | 1 |
| 30902399 | 10.1016/j.bmc.2019.03.028 | A549 | 1 |
| 34780899 | 10.1016/j.bmcl.2021.128449 | Unchecked | 1 |
| 37054760 | 10.1016/j.bmcl.2023.129283 | Peritoneal macrophage | 1 |
Data from ChEMBL 36 via Core Engine