Compound Detail
CHEMBL4297648
SELETALISIB 🧪 Phase II
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🧪 Phase II
[O-][n+]1cccc(-c2nc3c(Cl)cccc3cc2[C@@H](Nc2ncnc3cccnc23)C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4297648 |
| Name | SELETALISIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LNLJHGXOFYUARS-OAQYLSRUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
3
Known Names
2
Indications
1
Mechanisms
Molecular Properties
482.9
MW (Da)
5.24
ALogP
6
HBA
1
HBD
90.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| PI3-kinase p110-delta subunit inhibitor | INHIBITOR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | ✓ | ✓ |
Indications
Sjogren's Syndrome Psoriasis
Activity Summary
IC50 3 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Neutrophil CHEMBL5314326 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 12.0 | nM | 7.92 | Inhibition of PI3Kdelta in human Neutrophil cells | 30582813 |
| Neutrophil | IC50 | = | 16.0 | nM | 7.8 | Cytotoxicity against in human Neutrophil cells | 30582813 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 280.0 | nM | 6.55 | Inhibition of PI3Kgamma in human Neutrophil cells | 30582813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30582813 | 10.1021/acs.jmedchem.8b01298 | Unchecked | 2 |
| 30582813 | 10.1021/acs.jmedchem.8b01298 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 30582813 | 10.1021/acs.jmedchem.8b01298 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 30582813 | 10.1021/acs.jmedchem.8b01298 | Neutrophil | 1 |
Data from ChEMBL 36 via Core Engine