Compound Detail
CHEMBL5834733
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CC(C)n1nc(-c2ccc(Cl)c3[nH]ncc23)c2c(N)nc(Nc3ccc(S(C)(=O)=O)cc3F)nc21
Basic Information
| ChEMBL ID | CHEMBL5834733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHTVGCSXOSKRSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
515.0
MW (Da)
4.47
ALogP
9
HBA
3
HBD
144.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 CHEMBL4601 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 | IC50 | = | 5.1 | nM | 8.29 | Brk Inhibitory Activity Assay: Measurement of an inhibitory activity on Brk enzy... | - |
Data from ChEMBL 36 via Core Engine