Compound Detail
CHEMBL1644618
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Basic Information
| ChEMBL ID | CHEMBL1644618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJTANTDZFOCBKK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
4.52
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay | 21112785 |
| Mitogen-activated protein kinase 9 | IC50 | = | 69.0 | nM | 7.16 | Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay | 21112785 |
| Mitogen-activated protein kinase 8 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay | 21112785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Unchecked | 4 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | ADMET | 3 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Mitogen-activated protein kinase 1 | 2 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Mitogen-activated protein kinase 10 | 2 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Tyrosine-protein kinase JAK1 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Serine/threonine-protein kinase MARK2 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Mitogen-activated protein kinase 9 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Tyrosine-protein kinase SYK | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Dual specificity protein kinase CLK1 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Insulin receptor | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Mitogen-activated protein kinase 8 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Tyrosine-protein kinase ABL1 | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | cAMP-dependent protein kinase catalytic subunit alpha | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Platelet-derived growth factor receptor alpha | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Protein kinase C beta type | 1 |
| 21112785 | 10.1016/j.bmcl.2010.11.010 | Receptor tyrosine-protein kinase erbB-4 | 1 |
Data from ChEMBL 36 via Core Engine