Compound Detail
CHEMBL4541260
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Nc1ncc(C(=O)C(F)(F)F)c(N2CC[C@H]2c2nn3ccc(Cl)c3c(=O)n2-c2ccccc2)n1
Basic Information
| ChEMBL ID | CHEMBL4541260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBPFTIQLGQPNCK-AWEZNQCLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
489.9
MW (Da)
3.21
ALogP
9
HBA
1
HBD
111.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 6.28 | 6.28 | 524.0 | 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 gamma isoform | IC50 | = | 43.0 | nM | 7.37 | Inhibition of recombinant human full-length His-tagged PI3K p110gamma expressed ... | 31033293 |
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 524.0 | nM | 6.28 | Inhibition of N-terminal His6-tagged recombinant full length human p110delta/unt... | 31033293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31033293 | 10.1021/acs.jmedchem.8b02014 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 31033293 | 10.1021/acs.jmedchem.8b02014 | PI3-kinase p110-delta/p85-alpha | 1 |
| 31033293 | 10.1021/acs.jmedchem.8b02014 | PI3K p110 beta/p85 alpha | 1 |
Data from ChEMBL 36 via Core Engine