Compound Detail
CHEMBL143054
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL143054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZNDNBFMSVMUCX-UHFFFAOYSA-N |
4
Targets
9
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
0.00
ALogP
4
HBA
4
HBD
121.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 5.89
Kd 2 meas. best 5.3
IC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.89 | 5.06 | 1300.0 | 4 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | Kd | 5.3 | 5.3 | 5000.0 | 1 |
| Calcium/calmodulin-dependent protein kinase kinase 2 CHEMBL5284 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Maternal embryonic leucine zipper kinase | IC50 | = | 440.0 | nM | 6.36 | MELK Inhibitor Library Screening assay: MELK and its substrate, Bcl-G were both ... | - |
| Unchecked | Ki | = | 1300.0 | nM | 5.89 | Inhibition of PKG | 18077363 |
| Unchecked | Ki | = | 2300.0 | nM | 5.64 | Binding affinity at PKA | 18077363 |
| Mitogen-activated protein kinase 1 | Kd | = | 5000.0 | nM | 5.3 | Inhibition of ERK2 | 18077363 |
| Calcium/calmodulin-dependent protein kinase kinase 2 | Ki | = | 13000.0 | nM | 4.89 | Inhibition of CaM-KKbeta | 18077363 |
| Unchecked | Ki | = | 40000.0 | nM | 4.4 | Binding affinity at PKC | 18077363 |
| Unchecked | Ki | = | 49000.0 | nM | 4.31 | Inhibition of Staphylococcus sp. APH(3')-3a | 21235241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 3 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 26 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Ribosomal protein S6 kinase alpha-3 | 2 |
| - | 10.1039/C5MD00116A | Cyclin-dependent kinase 2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase kinase 2 | 2 |
| 18321716 | 10.1016/j.bmc.2008.02.046 | Unchecked | 1 |
| 18077363 | 10.1073/pnas.0708800104 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1D | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Mitogen-activated protein kinase 1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit beta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit gamma | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type IV | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Myosin light chain kinase, smooth muscle | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase-like 1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase Chk2 | 1 |
Data from ChEMBL 36 via Core Engine