Compound Detail
CHEMBL6017288
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C[C@H]1CN([C@@H](C)C(=O)Nc2cccc3c(-c4nc(Nc5cccc(S(C)(=O)=O)c5F)ncc4F)c[nH]c23)C[C@H](C)N1
Basic Information
| ChEMBL ID | CHEMBL6017288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWRLZLZAKAACSW-ULQDDVLXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
583.7
MW (Da)
4.06
ALogP
8
HBA
4
HBD
132.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 1130.0 | nM | 5.95 | Enzyme Inhibition Assay: Enzyme inhibition studies were performed using recombin... | - |
Data from ChEMBL 36 via Core Engine