Compound Detail
CHEMBL5393770
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CNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCN(Cc2cnc(C(F)(F)F)nc2)[C@H](C)C1
Basic Information
| ChEMBL ID | CHEMBL5393770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IODIOFWAUHHSJM-TZMCWYRMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.20
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.63 | 8.63 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 2.34 | nM | 8.63 | Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc... | 38031930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38031930 | 10.1021/acs.jmedchem.3c01712 | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine