Compound Detail
CHEMBL4287949
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Basic Information
| ChEMBL ID | CHEMBL4287949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXENEAFPGMVLAD-BQYQJAHWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
4.14
ALogP
8
HBA
1
HBD
86.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of PI3KCdelta/PIK3R1 (unknown origin) | 30237123 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PI3KCgamma (unknown origin) | 30237123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30237123 | 10.1016/j.ejmech.2018.09.033 | Mus musculus | 11 |
| 30237123 | 10.1016/j.ejmech.2018.09.033 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 4 |
| 30237123 | 10.1016/j.ejmech.2018.09.033 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 30237123 | 10.1016/j.ejmech.2018.09.033 | PI3K p110 beta/p85 alpha | 1 |
| 30237123 | 10.1016/j.ejmech.2018.09.033 | PI3-kinase p110-delta/p85-alpha | 1 |
| 30237123 | 10.1016/j.ejmech.2018.09.033 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine