Compound Detail
CHEMBL367345
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Basic Information
| ChEMBL ID | CHEMBL367345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYLWBNLJDXFSNQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.33
ALogP
3
HBA
2
HBD
65.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
| Danio rerio CHEMBL613963 | IC50 | 5.66 | 5.66 | 2170.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.0 | 5.0 | 10070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 78.0 | nM | 7.11 | Inhibition of glycogen synthase kinase-3-alpha/beta (GSK-3-alpha/beta) in porcin... | 14761195 |
| Danio rerio | IC50 | = | 2170.0 | nM | 5.66 | PUBCHEM_BIOASSAY: In Vivo Angiogenesis Dose-Response Confirmation. (Class of ass... | - |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 10070.0 | nM | 5.0 | Inhibition of FLT3 by HTRF assay | 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