Compound Detail
CHEMBL6001529
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C#Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)C)nn4C)c4ccccc34)n2)cc(C(=O)NCCOCCOCCOC)c1
Basic Information
| ChEMBL ID | CHEMBL6001529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKEMSFNHLLMWNR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
706.8
MW (Da)
6.06
ALogP
11
HBA
4
HBD
162.8
PSA (Ų)
0.07
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Mitogen-activated protein kinase 12 CHEMBL4674 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 5.02 | 5.02 | 9523.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 9.0 | nM | 8.05 | Enzyme Inhibition: c-Src and Syk: The inhibitory activities of compounds of the ... | - |
| Mitogen-activated protein kinase 12 | IC50 | = | 13.0 | nM | 7.89 | Enzyme Inhibition: p38 MAPKγ: The inhibitory activities of compounds of the inve... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 9523.0 | nM | 5.02 | Enzyme Inhibition: The inhibitory activities of compounds of the invention again... | - |
Data from ChEMBL 36 via Core Engine