Compound Detail
CHEMBL5750422
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COCCOCCOCCOc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(N(C)C)cc4)c4ccccc34)n2)cc(OC)c1
Basic Information
| ChEMBL ID | CHEMBL5750422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNZXMJJDUOZXMT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
805.0
MW (Da)
8.43
ALogP
13
HBA
3
HBD
155.4
PSA (Ų)
0.07
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 6.73 | 6.73 | 187.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 5.32 | 5.32 | 4817.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 13.0 | nM | 7.89 | Enzyme Inhibition Assay: c-Src and Syk Enzyme InhibitionThe inhibitory activitie... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 16.0 | nM | 7.8 | Enzyme Inhibition Assay: c-Src and Syk Enzyme InhibitionThe inhibitory activitie... | - |
| Mitogen-activated protein kinase 12 | IC50 | = | 187.0 | nM | 6.73 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 4817.0 | nM | 5.32 | Enzyme Inhibition Assay: The inhibitory activities of compounds of the invention... | - |
Data from ChEMBL 36 via Core Engine