Compound Detail
CHEMBL4460242
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Basic Information
| ChEMBL ID | CHEMBL4460242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHCMUDBBTVAEDG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.92
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.01 | 5.01 | 9660.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 4.71 | 4.71 | 19350.0 | 1 |
| SMMC-7721 CHEMBL613831 | IC50 | 4.31 | 4.31 | 48800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 35.0 | nM | 7.46 | Inhibition of DYRK1A (unknown origin) | 33528252 |
| A549 | IC50 | = | 9660.0 | nM | 5.01 | Cytotoxicity against human A549 cells assessed as inhibition of cell growth afte... | 27397495 |
| SGC-7901 | IC50 | = | 19350.0 | nM | 4.71 | Cytotoxicity against human SGC7901 cells assessed as inhibition of cell growth a... | 27397495 |
| SMMC-7721 | IC50 | = | 48800.0 | nM | 4.31 | Cytotoxicity against human SMMC7721 cells assessed as inhibition of cell growth ... | 27397495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27397495 | 10.1016/j.bmcl.2016.06.087 | MCF7 | 1 |
| 27397495 | 10.1016/j.bmcl.2016.06.087 | SGC-7901 | 1 |
| 27397495 | 10.1016/j.bmcl.2016.06.087 | SMMC-7721 | 1 |
| 27397495 | 10.1016/j.bmcl.2016.06.087 | A549 | 1 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine