Compound Detail
CHEMBL173445
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Basic Information
| ChEMBL ID | CHEMBL173445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCJGSZCPPTXTGO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
388.2
MW (Da)
3.80
ALogP
3
HBA
2
HBD
65.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.33 | 5.33 | 4722.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.32 | 5.32 | 4790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 68.0 | nM | 7.17 | Inhibition of glycogen synthase kinase-3-alpha/beta (GSK-3-alpha/beta) in porcin... | 14761195 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 4722.0 | nM | 5.33 | Inhibition of FLT3 by HTRF assay | 20153646 |
| MV4-11 | IC50 | = | 4790.0 | nM | 5.32 | Antiproliferative activity against wild type FLT3 expressing human MV411 cells a... | 20153646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18824607 | 10.1128/aac.00903-08 | ADMET | 2 |
| 14761195 | 10.1021/jm031016d | Glycogen synthase kinase-3 | 1 |
| 20153646 | 10.1016/j.bmcl.2010.01.039 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 20153646 | 10.1016/j.bmcl.2010.01.039 | NON-PROTEIN TARGET | 1 |
| 20153646 | 10.1016/j.bmcl.2010.01.039 | MV4-11 | 1 |
| 18824607 | 10.1128/aac.00903-08 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine