Compound Detail
CHEMBL3114780
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O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1Nc1cccc(OCCNc2cc(F)cc(F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL3114780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNYUDHVYIMJYAQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
4.42
ALogP
5
HBA
4
HBD
95.2
PSA (Ų)
0.22
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.86 | 5.86 | 1387.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 1387.0 | nM | 5.86 | Inhibition of JAK3 (unknown origin) | 24461299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24461299 | 10.1016/j.bmcl.2014.01.001 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine