Compound Detail
CHEMBL4637985
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Basic Information
| ChEMBL ID | CHEMBL4637985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUBJUJIZDHZLMR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
5.18
ALogP
8
HBA
2
HBD
88.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.07 | 7.07 | 85.3 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 85.3 | nM | 7.07 | Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues)... | 31866272 |
| Unchecked | IC50 | = | 12800.0 | nM | 4.89 | 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 | 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