Compound Detail
CHEMBL4090825
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Basic Information
| ChEMBL ID | CHEMBL4090825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KADZMZDAUYWFBW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.46
ALogP
8
HBA
1
HBD
104.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.3 | 7.3 | 50.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-delta/p85-alpha | Ki | = | 25.12 | nM | 7.6 | Inhibition of human recombinant full length N-terminal His6-tagged PI3K p110delt... | 28489362 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 50.12 | nM | 7.3 | Inhibition of PI3Kdelta in human PBMC assessed as reduction in anti-human CD28 a... | 28489362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28489362 | 10.1021/acs.jmedchem.7b00247 | PI3-kinase p110-delta/p85-alpha | 1 |
| 28489362 | 10.1021/acs.jmedchem.7b00247 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine