Compound Detail
CHEMBL4163691
POSELTINIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4163691 |
| Name | POSELTINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LZMJNVRJMFMYQS-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
4
Known Names
1
Indications
2
Mechanisms
Molecular Properties
470.5
MW (Da)
4.64
ALogP
8
HBA
2
HBD
95.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tyrosine-protein kinase BTK inhibitor | INHIBITOR | Tyrosine-protein kinase BTK | ✓ | ✓ |
| Tyrosine-protein kinase BTK inhibitor | INHIBITOR | Tyrosine-protein kinase BTK | ✓ | ✓ |
Indications
Arthritis, Rheumatoid
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.0 | 7.9667 | 1.0 | 3 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.84 | 7.84 | 14.6 | 1 |
| Early activation antigen CD69 CHEMBL3308911 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate i... | 34734694 |
| Tyrosine-protein kinase BTK | IC50 | = | 1.95 | nM | 8.71 | Inhibition of BTK (unknown origin) One-hour enzymatic assay without pre-incubati... | 33609659 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 14.6 | nM | 7.84 | Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues)... | 31866272 |
| Tyrosine-protein kinase BTK | IC50 | = | 651.95 | nM | 6.19 | Inhibition of BTK (unknown origin) | 29631132 |
| Early activation antigen CD69 | IC50 | = | 980.0 | nM | 6.01 | Inhibition of CD69 in human whole blood preincubated for 30 mins followed by ant... | 34734694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34734694 | 10.1021/acs.jmedchem.1c00926 | Tyrosine-protein kinase BTK | 2 |
| 29631132 | 10.1016/j.ejmech.2018.03.062 | Tyrosine-protein kinase BTK | 1 |
| 31866272 | 10.1016/j.bmc.2019.115254 | Tyrosine-protein kinase JAK3 | 1 |
| 33609659 | 10.1016/j.bmcl.2021.127862 | Tyrosine-protein kinase BTK | 1 |
| 34734694 | 10.1021/acs.jmedchem.1c00926 | Early activation antigen CD69 | 1 |
Data from ChEMBL 36 via Core Engine