Compound Detail
CHEMBL6030654
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C=CC(=O)N1CC[C@H](Nc2nc(CN3CCOCC3)cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)n2)C1
Basic Information
| ChEMBL ID | CHEMBL6030654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKZHIEIQEWZOOJ-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
583.1
MW (Da)
3.92
ALogP
10
HBA
3
HBD
124.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK CHEMBL3234 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.79 | 8.79 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase HCK | IC50 | = | 0.59 | nM | 9.23 | Inhibition Assay: The inhibitory activities of exemplary compounds described her... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 1.61 | nM | 8.79 | Inhibition Assay: The inhibitory activities of exemplary compounds described her... | - |
Data from ChEMBL 36 via Core Engine