Compound Detail
CHEMBL5404351
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Basic Information
| ChEMBL ID | CHEMBL5404351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IARAUFAUVKBTEM-DGCLKSJQSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.52
ALogP
4
HBA
1
HBD
48.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Kd 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 7.85 | 7.475 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | Kd | = | 1.0 | nM | 9.0 | Binding affinity to VPS34 (unknown origin) assessed as dissociation constant by ... | 37178482 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human PIK3C3 using PI as substrate by ADP-Glo assay | 38295689 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | IC50 | = | 80.0 | nM | 7.1 | Biochemical Assay: Dilution series of compounds of the invention were prepared i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37178482 | 10.1016/j.ejmech.2023.115467 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 38295689 | 10.1016/j.ejmech.2023.116117 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
Data from ChEMBL 36 via Core Engine