Compound Detail
CHEMBL4127150
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Basic Information
| ChEMBL ID | CHEMBL4127150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZVDJVCULQLKOA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
2.63
ALogP
4
HBA
2
HBD
71.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
| PI3K p110 beta/p85 alpha CHEMBL3038510 | IC50 | 5.8 | 5.8 | 1584.9 | 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 | = | 63.1 | nM | 7.2 | Inhibition of recombinant human 6His-tagged PI3Kgamma (144 to 1102 residues) usi... | 29852070 |
| PI3-kinase p110-alpha/p85-alpha | IC50 | = | 79.43 | nM | 7.1 | Inhibition of recombinant human 6His-tagged PI3K p110alpha/p85alpha using DiC8-P... | 29852070 |
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 251.19 | nM | 6.6 | Inhibition of recombinant human 6His-tagged PI3K p110delta/p85alpha using DiC8-P... | 29852070 |
| PI3K p110 beta/p85 alpha | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of recombinant human 6His-tagged PI3K p110beta/p85alpha using DiC8-PI... | 29852070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29852070 | 10.1021/acs.jmedchem.8b00447 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2 |
| 29852070 | 10.1021/acs.jmedchem.8b00447 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 29852070 | 10.1021/acs.jmedchem.8b00447 | PI3K p110 beta/p85 alpha | 1 |
| 29852070 | 10.1021/acs.jmedchem.8b00447 | PI3-kinase p110-delta/p85-alpha | 1 |
Data from ChEMBL 36 via Core Engine