Compound Detail
CHEMBL5286775
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CCN1CCN(c2ccc(Nc3ncnc(N(C)C(=O)Nc4c(Cl)c(OC)c(Cl)c(OC)c4Cl)n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5286775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXXJOFNWFFKBRC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
595.9
MW (Da)
5.40
ALogP
9
HBA
2
HBD
108.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | Kd | 9.28 | 9.28 | 0.5 | 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 | = | 0.53 | nM | 9.28 | Inhibition of PIK3C3 (unknown origin) assessed as dissociation constant | 33556787 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | Kd | = | 0.53 | nM | 9.28 | Binding affinity to VPS34 (unknown origin) assessed as dissociation constant by ... | 37178482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33556787 | 10.1016/j.ejmech.2021.113205 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 37178482 | 10.1016/j.ejmech.2023.115467 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
Data from ChEMBL 36 via Core Engine