Compound Detail
CHEMBL4749823
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Basic Information
| ChEMBL ID | CHEMBL4749823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCMAZDUWLKXRRU-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
3.66
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
EC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 7 CHEMBL3530 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 7 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of MAP2K7 (unknown origin) using JNK peptide KFMMTPYVVTR incubated fo... | 32931911 |
| Dual specificity mitogen-activated protein kinase kinase 7 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of MEK7 (unknown origin) | 32389527 |
| HEK293 | EC50 | = | 1300.0 | nM | 5.89 | Cytotoxicity against HEK293 cells assessed as reduction in cell viability | 32389527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32931911 | 10.1016/j.bmcl.2020.127546 | Dual specificity mitogen-activated protein kinase kinase 7 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Dual specificity mitogen-activated protein kinase kinase 4 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Tyrosine-protein kinase JAK3 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Dual specificity mitogen-activated protein kinase kinase 7 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | HEK293 | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Aurora kinase B | 1 |
| 32389527 | 10.1016/j.bmcl.2020.127203 | Leucine-rich repeat serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine