Compound Detail
CHEMBL4556783
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Basic Information
| ChEMBL ID | CHEMBL4556783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCQXILHHRAEBLY-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
226.7
MW (Da)
2.91
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fascin CHEMBL4523304 | IC50 | 5.7 | 5.7 | 2000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fascin | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of GST-tagged recombinant human fascin 1 expressed in Escherichia col... | - |
| Fascin | IC50 | = | 2000.0 | nM | 5.7 | Chemical Library Screens and Analysis: About 150,000 compounds were screened. Th... | - |
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | High Throughput Inhibition Assay: A high throughput assay was developed to scree... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of DYRK1A (unknown origin) by [33P]-ATP filter binding kinase assay | 27736065 |
| 4T1 | IC50 | = | 25000.0 | nM | 4.6 | Antimigratory activity against mouse 4T1 cells assessed as inhibition of cell mi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27736065 | 10.1021/acs.jmedchem.6b01086 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
Data from ChEMBL 36 via Core Engine