Compound Detail
CHEMBL5847084
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C[C@@H]1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C[C@H](C)O1
Basic Information
| ChEMBL ID | CHEMBL5847084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBLKRIYBERRAFC-IYBDPMFKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
3.35
ALogP
6
HBA
1
HBD
71.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 300.0 | nM | 6.52 | JAK2 Inhibition Assay: Recombinant human JAK2 catalytic domain (amino acids 808-... | - |
| Tyrosine-protein kinase JAK1 | IC50 | = | 550.0 | nM | 6.26 | JAK1 Inhibition Assay: Recombinant human JAK1 catalytic domain (amino acids 850-... | - |
Data from ChEMBL 36 via Core Engine