Compound Detail
CHEMBL5852770
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C[C@H](CO)NCc1ccc2c(c1)nc(NC(=O)c1ccc(-c3cnco3)s1)n2C[C@H]1CCCN1C(=O)C(C#N)=CC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5852770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAPLTIZCBMPGSJ-NFBKMPQASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
615.8
MW (Da)
4.96
ALogP
10
HBA
3
HBD
149.3
PSA (Ų)
0.17
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Tyrosine-protein kinase TXK CHEMBL4367 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 0.9 | nM | 9.05 | Enzymatic Activity In Vitro Assays: The ability of the compounds of the present ... | - |
| Tyrosine-protein kinase TXK | IC50 | = | 1.3 | nM | 8.89 | Enzymatic Activity In Vitro Assays: The ability of the compounds of the present ... | - |
Data from ChEMBL 36 via Core Engine