Compound Detail
CHEMBL5800577
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Nc1nc(Nc2ccc(C(=O)N3CCNCC3)cc2F)nc2c1n(-c1ccc(Cl)c(O)c1)c(=O)n2C1CCC(F)(F)C1
Basic Information
| ChEMBL ID | CHEMBL5800577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHIMNVZBBSYCIT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
603.0
MW (Da)
3.81
ALogP
10
HBA
4
HBD
143.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 CHEMBL4601 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 | IC50 | = | 2.0 | nM | 8.7 | Measurement of Brk Inhibitory Activity: Measurement of an inhibitory activity on... | - |
Data from ChEMBL 36 via Core Engine