Compound Detail
CHEMBL2430323
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Basic Information
| ChEMBL ID | CHEMBL2430323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFBPGSDPFRCNOY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.89
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 6.63 | 6.63 | 232.5 | 1 |
| Mitogen-activated protein kinase 15 CHEMBL5198 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Casein kinase I isoform delta CHEMBL4484 | IC50 | 6.05 | 6.05 | 893.5 | 1 |
| Serine/threonine-protein kinase Nek2 CHEMBL3835 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 232.5 | nM | 6.63 | Inhibition of human CHK1 in presence of 20 uM ATP | 24007918 |
| Mitogen-activated protein kinase 15 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human ERK8 in presence of 5 uM ATP | 24007918 |
| Casein kinase I isoform delta | IC50 | = | 893.5 | nM | 6.05 | Inhibition of rat CK1delta in presence of 20 uM ATP | 24007918 |
| Serine/threonine-protein kinase Nek2 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human NEK2alpha in presence of 50 uM ATP | 24007918 |
| Fibroblast growth factor receptor 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of human FGFR1 in presence of 20 uM ATP | 24007918 |
| A-375 | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxicity against human A375 cells assessed as cell viability after 24 hrs by... | 24007918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24007918 | 10.1016/j.bmcl.2013.08.046 | A-375 | 26 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Unchecked | 8 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Casein kinase I/MDM2 | 4 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Serine/threonine-protein kinase Chk1 | 3 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Casein kinase I isoform delta | 3 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Mitogen-activated protein kinase 15 | 3 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Fibroblast growth factor receptor 1 | 3 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Serine/threonine-protein kinase Nek2 | 3 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Tyrosine-protein kinase Yes | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Tyrosine-protein kinase SYK | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | SRSF protein kinase 1 | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Mitogen-activated protein kinase 12 | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Ribosomal protein S6 kinase beta-1 | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Rho-associated protein kinase 2 | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | MAP kinase-activated protein kinase 5 | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Serine/threonine-protein kinase PLK1 | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Protein kinase C zeta type | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | Tyrosine-protein kinase BTK | 2 |
| 24007918 | 10.1016/j.bmcl.2013.08.046 | RAC-beta serine/threonine-protein kinase | 2 |
Data from ChEMBL 36 via Core Engine