Compound Detail
CHEMBL6031893
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CCS(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H](Nc1nc(Nc3cc(C)[nH]n3)cc3nc(CN4CCOCC4)ccc13)C2
Basic Information
| ChEMBL ID | CHEMBL6031893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMEAVESWSCXAOK-MZADTFQBSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.7
MW (Da)
2.99
ALogP
9
HBA
3
HBD
128.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 9.26 | 9.26 | 0.6 | 2 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 9.26 | 9.26 | 0.6 | 2 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 9.26 | 9.26 | 0.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 0.55 | nM | 9.26 | Biochemical JAK Assay: A panel of four LanthaScreen JAK biochemical assays (JAK1... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 0.55 | nM | 9.26 | Biochemical JAK Assay: A panel of four LanthaScreen JAK biochemical assays (JAK1... | - |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 0.55 | nM | 9.26 | Biochemical JAK Assay: A panel of four LanthaScreen JAK biochemical assays (JAK1... | - |
| Tyrosine-protein kinase JAK1 | Ki | = | 0.55 | nM | 9.26 | Biochemical JAK Assays: A panel of four LanthaScreen JAK biochemical assays (JAK... | - |
| Tyrosine-protein kinase JAK3 | Ki | = | 0.55 | nM | 9.26 | Biochemical JAK Assays: A panel of four LanthaScreen JAK biochemical assays (JAK... | - |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 0.55 | nM | 9.26 | Biochemical JAK Assays: A panel of four LanthaScreen JAK biochemical assays (JAK... | - |
Data from ChEMBL 36 via Core Engine