Compound Detail
CHEMBL4537067
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(Nc4cccc(-c5ccccc5)c4)ncn3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4537067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNAREMFAESIWFA-OVCLIPMQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
583.7
MW (Da)
6.94
ALogP
7
HBA
4
HBD
111.3
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 4.71 | 4.71 | 19300.0 | 1 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta CHEMBL5667 | IC50 | 4.61 | 4.61 | 24500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | IC50 | = | 19300.0 | nM | 4.71 | Inhibition of PI5P4Kalpha (unknown origin) incubated for 15 mins in presence of ... | 32184968 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | IC50 | = | 24500.0 | nM | 4.61 | Inhibition of PI5P4Kbeta (unknown origin) incubated for 15 mins in presence of A... | 32184968 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184968 | 10.1021/acsmedchemlett.9b00402 | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 1 |
| 32184968 | 10.1021/acsmedchemlett.9b00402 | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 1 |
Data from ChEMBL 36 via Core Engine