Compound Detail
CHEMBL4550589
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CN1CCN(c2cnc3c(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)ncnc3c2)CC1
Basic Information
| ChEMBL ID | CHEMBL4550589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJXVHOIPPRPXEC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
3.70
ALogP
7
HBA
0
HBD
74.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 CHEMBL5332 | IC50 | 7.27 | 6.905 | 54.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 7 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of His-tagged MAP2K5 activated N-terminal GST-tagged recombinant huma... | 30563338 |
| Mitogen-activated protein kinase 7 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of ERK5 in human SN12C cells transduced with MEF2-responsive transcri... | 30563338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30563338 | 10.1021/acs.jmedchem.8b01606 | Mitogen-activated protein kinase 7 | 2 |
Data from ChEMBL 36 via Core Engine