Compound Detail
CHEMBL5964910
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CNC(=O)c1nnc(NC(=O)[C@@H]2CC2(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Basic Information
| ChEMBL ID | CHEMBL5964910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFFFANVCCDREBV-NSHDSACASA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
1.98
ALogP
9
HBA
3
HBD
135.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.31 | 6.7 | 4.9 | 4 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.16 | 5.135 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 4.9 | nM | 8.31 | TYK2 Pseudokinase Domain Binding Assay: A binding buffer contains 20 mM Hepes pH... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 5.4 | nM | 8.27 | TYK2 Pseudokinase Domain Binding Assay: A binding buffer contains 20 mM Hepes pH... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 6300.0 | nM | 5.2 | TYK2 Kinase Domain Enzymatic Activity Assay: A reaction buffer containing the fo... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 7000.0 | nM | 5.16 | JAK2 Kinase Domain Enzymatic Activity Assay: A reaction buffer containing the fo... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 7800.0 | nM | 5.11 | JAK2 Kinase Domain Enzymatic Activity Assay: A reaction buffer containing the fo... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 9500.0 | nM | 5.02 | TYK2 Kinase Domain Enzymatic Activity Assay: A reaction buffer containing the fo... | - |
Data from ChEMBL 36 via Core Engine