Compound Detail
CHEMBL3901151
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Basic Information
| ChEMBL ID | CHEMBL3901151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYTUFLIGWRGQDS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.35
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 7 CHEMBL3530 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.78 | 5.78 | 1660.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 7 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of MEK7 (unknown origin) | 32389527 |
| Aurora kinase A | IC50 | = | 1660.0 | nM | 5.78 | Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincu... | 27573544 |
| HEK293 | EC50 | = | 2100.0 | nM | 5.68 | Cytotoxicity against HEK293 cells assessed as reduction in cell viability | 32389527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27573544 | 10.1016/j.ejmech.2016.08.026 | Aurora kinase A | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Dual specificity mitogen-activated protein kinase kinase 4 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Tyrosine-protein kinase JAK3 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Dual specificity mitogen-activated protein kinase kinase 7 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | HEK293 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Aurora kinase B | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine