Compound Detail
CHEMBL4634992
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C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OCCCN4CCOCC4)c(Cl)c3)nc3ccsc23)c1
Basic Information
| ChEMBL ID | CHEMBL4634992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZFLKUGURVDIAB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
566.1
MW (Da)
6.11
ALogP
9
HBA
2
HBD
97.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.86 | 8.86 | 1.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 1.38 | nM | 8.86 | Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues)... | 31866272 |
| Unchecked | IC50 | = | 39000.0 | nM | 4.41 | Cytotoxicity against human NHBE cells assessed as reduction in cell viability by... | 31866272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31866272 | 10.1016/j.bmc.2019.115254 | Mus musculus | 10 |
| 31866272 | 10.1016/j.bmc.2019.115254 | Tyrosine-protein kinase JAK3 | 1 |
| 31866272 | 10.1016/j.bmc.2019.115254 | Tyrosine-protein kinase BTK | 1 |
| 31866272 | 10.1016/j.bmc.2019.115254 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine