Compound Detail
CHEMBL6052957
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C#Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)C)nn4C)c4ccccc34)n2)cc(C(=O)NCCN2CCOCC2)c1
Basic Information
| ChEMBL ID | CHEMBL6052957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSEQHHCLNCHKNO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
673.8
MW (Da)
5.71
ALogP
10
HBA
4
HBD
147.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
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 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.09 | 6.09 | 819.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 4.85 | 4.85 | 14119.0 | 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: c-Src and Syk: The inhibitory activities of compounds of the ... | - |
| Mitogen-activated protein kinase 12 | IC50 | = | 9.0 | nM | 8.05 | Enzyme Inhibition: p38 MAPKγ: The inhibitory activities of compounds of the inve... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 819.0 | nM | 6.09 | Enzyme Inhibition: GSK 3α: The inhibitory activities of compounds of the inventi... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 14119.0 | nM | 4.85 | Enzyme Inhibition: The inhibitory activities of compounds of the invention again... | - |
Data from ChEMBL 36 via Core Engine