Compound Detail
CHEMBL3585362
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Basic Information
| ChEMBL ID | CHEMBL3585362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFASFQBUVZVOCJ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
498.0
MW (Da)
3.59
ALogP
8
HBA
2
HBD
97.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.73
Ki 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.73 | 6.73 | 185.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 5.13 | 5.13 | 7370.0 | 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 | = | 185.0 | nM | 6.73 | Inhibition of PI3Kgamma in human THP1 cells assessed as inhibition of MCP1-stimu... | 26121481 |
| Tyrosine-protein kinase JAK2 | Ki | = | 3200.0 | nM | 5.5 | Inhibition of JAK2 (unknown origin) using ATP and polyE4Y substrate by radiometr... | 26121481 |
| HUVEC | IC50 | = | 7370.0 | nM | 5.13 | Inhibition of cell proliferation of HUVEC endogenously expressing PI3Kalpha and ... | 26121481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Unchecked | 3 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Liver microsome | 3 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | High affinity nerve growth factor receptor | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | DNA-dependent protein kinase catalytic subunit | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Tyrosine-protein kinase JAK2 | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Glycogen synthase kinase-3 beta | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Vascular endothelial growth factor receptor 2 | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Mast/stem cell growth factor receptor Kit | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | MCF7 | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | HUVEC | 1 |
| 26121481 | 10.1021/acs.jmedchem.5b00498 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine