Compound Detail
CHEMBL2425656
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Basic Information
| ChEMBL ID | CHEMBL2425656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVLVTFFRFJLZON-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.96
ALogP
6
HBA
1
HBD
68.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human JNK1 assessed as inhibition of GST-tagged ATF2 (19 to 96) ph... | 23352510 |
| Mitogen-activated protein kinase 9 | IC50 | = | 390.0 | nM | 6.41 | Inhibition of human JNK2 assessed as inhibition of GST-tagged ATF2 (19 to 96) ph... | 23352510 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of human recombinant CDK2/GST-tagged cyclin E expressed in baculoviru... | 23352510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23352510 | 10.1016/j.bmcl.2012.12.047 | Unchecked | 1 |
| 23352510 | 10.1016/j.bmcl.2012.12.047 | HCT-116 | 1 |
| 23352510 | 10.1016/j.bmcl.2012.12.047 | c-Jun N-terminal kinase, JNK | 1 |
| 23352510 | 10.1016/j.bmcl.2012.12.047 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 23352510 | 10.1016/j.bmcl.2012.12.047 | Mitogen-activated protein kinase 9 | 1 |
| 23352510 | 10.1016/j.bmcl.2012.12.047 | Mitogen-activated protein kinase 8 | 1 |
Data from ChEMBL 36 via Core Engine