Compound Detail
CHEMBL4439287
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Cc1ccc(-n2ccc3c(Nc4cccc(NC(=O)c5ccc(NC(=O)/C=C/CN(C)C)cc5)c4)ncnc32)cc1
Basic Information
| ChEMBL ID | CHEMBL4439287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSHQSGKUSRNJPU-VMPITWQZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
5.78
ALogP
7
HBA
3
HBD
104.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta CHEMBL5667 | IC50 | 5.0 | 5.0 | 9900.0 | 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 | = | 1340.0 | nM | 5.87 | Inhibition of PI5P4Kalpha (unknown origin) incubated for 15 mins in presence of ... | 32184968 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | IC50 | = | 9900.0 | nM | 5.0 | 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 | 2 |
| 32184968 | 10.1021/acsmedchemlett.9b00402 | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 2 |
| 32184968 | 10.1021/acsmedchemlett.9b00402 | Ribosomal protein S6 kinase alpha-4 | 1 |
| 32184968 | 10.1021/acsmedchemlett.9b00402 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 32184968 | 10.1021/acsmedchemlett.9b00402 | Casein kinase II subunit alpha' | 1 |
| 32184968 | 10.1021/acsmedchemlett.9b00402 | Platelet-derived growth factor receptor beta | 1 |
| 32184968 | 10.1021/acsmedchemlett.9b00402 | 1-phosphatidylinositol 3-phosphate 5-kinase | 1 |
| 35148092 | 10.1021/acs.jmedchem.1c01819 | Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | 1 |
Data from ChEMBL 36 via Core Engine