Compound Detail
CHEMBL6046503
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COc1cc2c(=O)n(C(C(=O)NCC(F)(F)F)C(C)C)c3c4cc[nH]c4ncc3c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL6046503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUIHFZZNBSJCSO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
3.92
ALogP
6
HBA
2
HBD
98.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.52 | 7.52 | 30.2 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.56 | 6.56 | 273.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 30.2 | nM | 7.52 | JAK Inhibition Activity Assays: Reagents used in JAK inhibition assay: Base Reac... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 75.0 | nM | 7.12 | JAK Inhibition Activity Assays: Reagents used in JAK inhibition assay: Base Reac... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 110.0 | nM | 6.96 | JAK Inhibition Activity Assays: Reagents used in JAK inhibition assay: Base Reac... | - |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 273.0 | nM | 6.56 | JAK Inhibition Activity Assays: Reagents used in JAK inhibition assay: Base Reac... | - |
Data from ChEMBL 36 via Core Engine