Compound Detail
CHEMBL111433
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Basic Information
| ChEMBL ID | CHEMBL111433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOHZJKSTSDMBIZ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
3.50
ALogP
3
HBA
2
HBD
65.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 7.21 | 6.655 | 62.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.68 | 6.68 | 209.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.81 | 5.81 | 1540.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 62.0 | nM | 7.21 | Inhibition of glycogen synthase kinase-3-alpha/beta (GSK-3-alpha/beta) in porcin... | 14761195 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 209.0 | nM | 6.68 | Inhibition of FLT3 by HTRF assay | 20153646 |
| Glycogen synthase kinase-3 | IC50 | = | 800.0 | nM | 6.1 | Inhibition of porcine GSK-3-alpha/beta kinase | 15163202 |
| MV4-11 | IC50 | = | 1540.0 | nM | 5.81 | Antiproliferative activity against wild type FLT3 expressing human MV411 cells a... | 20153646 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Cyclin-dependent kinase 5-p35nck5a | 15163202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18824607 | 10.1128/aac.00903-08 | ADMET | 2 |
| 14761195 | 10.1021/jm031016d | Glycogen synthase kinase-3 | 1 |
| 15163202 | 10.1021/jm030561b | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 15163202 | 10.1021/jm030561b | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15163202 | 10.1021/jm030561b | 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