Compound Detail
CHEMBL4163479
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Basic Information
| ChEMBL ID | CHEMBL4163479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NREOZWPOBWZLGL-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.06
ALogP
2
HBA
3
HBD
73.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 4.8 | 4.8 | 15848.9 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 4.6 | 4.6 | 25118.9 | 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 delta isoform | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate pretreated for ... | 29057057 |
| Glycogen synthase kinase-3 beta | IC50 | = | 7943.28 | nM | 5.1 | Inhibition of GSK3beta (unknown origin) after 1 hr by fluorescence polarization ... | 29057057 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 15848.93 | nM | 4.8 | Inhibition of PIM1 (unknown origin) using TAMRA-ERMRPRKRQGSVRRRV-NH2 as substrat... | 29057057 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 25118.86 | nM | 4.6 | Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate pretreated for 1... | 29057057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29057057 | 10.1021/acsmedchemlett.7b00296 | Serine/threonine-protein kinase pim-1 | 1 |
| 29057057 | 10.1021/acsmedchemlett.7b00296 | Glycogen synthase kinase-3 beta | 1 |
| 29057057 | 10.1021/acsmedchemlett.7b00296 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 29057057 | 10.1021/acsmedchemlett.7b00296 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 29057057 | 10.1021/acsmedchemlett.7b00296 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 29057057 | 10.1021/acsmedchemlett.7b00296 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine