Compound Detail
CHEMBL5992625
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Cc1nn(CC(C)(C)O)cc1Nc1nc(N)c2c(-c3cccc4[nH]ncc34)cn(C3COC3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5992625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRVOIEYXRLTCPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
3.15
ALogP
10
HBA
4
HBD
144.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 CHEMBL4601 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein-tyrosine kinase 6 | IC50 | = | 9.7 | nM | 8.01 | Brk Inhibitory Activity Assay: Measurement of an inhibitory activity on Brk enzy... | - |
Data from ChEMBL 36 via Core Engine