Compound Detail
CHEMBL6040301
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Cc1ccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(OS(C)(=O)=O)c4)n3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL6040301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBVOZYJUBHKVRX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
663.8
MW (Da)
7.77
ALogP
10
HBA
3
HBD
149.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 5.06 | 5.06 | 8651.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 20.0 | nM | 7.7 | Enzyme Inhibition Assay: c-Src and Syk Enzyme InhibitionThe inhibitory activitie... | - |
| Mitogen-activated protein kinase 12 | IC50 | = | 50.0 | nM | 7.3 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 8651.0 | nM | 5.06 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
Data from ChEMBL 36 via Core Engine