Compound Detail
CHEMBL5896433
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C#Cc1cccc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)C)nn4-c4ccc(C)cc4)c4ccccc34)n2)c1
Basic Information
| ChEMBL ID | CHEMBL5896433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRRTYPGETLWSGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
593.7
MW (Da)
8.41
ALogP
7
HBA
3
HBD
106.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.86 | 6.86 | 137.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.09 | 6.09 | 807.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 137.0 | nM | 6.86 | Enzyme Inhibition Assay: c-Src and Syk Enzyme InhibitionThe inhibitory activitie... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 807.0 | nM | 6.09 | Enzyme Inhibition Assay: c-Src and Syk Enzyme InhibitionThe inhibitory activitie... | - |
Data from ChEMBL 36 via Core Engine