Compound Detail
CHEMBL6040369
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COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4cccc(N=S(C)(C)=O)c4)n3)c3ccccc23)cn1
Basic Information
| ChEMBL ID | CHEMBL6040369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTASITJXTTXPJS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
691.8
MW (Da)
8.06
ALogP
11
HBA
3
HBD
157.5
PSA (Ų)
0.14
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 5.73 | 5.73 | 1850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 8.0 | nM | 8.1 | Enzyme Inhibition Assay: c-Src and Syk Enzyme InhibitionThe inhibitory activitie... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 15.0 | nM | 7.82 | Enzyme Inhibition Assay: c-Src and Syk Enzyme InhibitionThe inhibitory activitie... | - |
| Mitogen-activated protein kinase 12 | IC50 | = | 81.0 | nM | 7.09 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 1850.0 | nM | 5.73 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
Data from ChEMBL 36 via Core Engine