Compound Detail
CHEMBL6043284
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CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4)n3)c3ccccc23)n(-c2ccc(O)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL6043284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBHCCGHQPDLGDY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
585.7
MW (Da)
8.00
ALogP
8
HBA
4
HBD
126.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.76 | 6.76 | 173.0 | 1 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 5.82 | 5.82 | 1503.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 5.6 | 5.6 | 2494.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 173.0 | nM | 6.76 | p38 MAPKalpha Enzyme Inhibition: The inhibitory activities of test compounds aga... | - |
| Mitogen-activated protein kinase 12 | IC50 | = | 1503.0 | nM | 5.82 | p38 MAPKgamma Enzyme Inhibition: The inhibitory activities of compounds of the i... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 2494.0 | nM | 5.6 | GSK 3alpha Enzyme Inhibition: The inhibitory activities of test compounds agains... | - |
Data from ChEMBL 36 via Core Engine