Compound Detail
CHEMBL4518868
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Cc1ccc(NC(=O)c2ccc(NC(=O)/C=C/CN(C)C)cc2)cc1Nc1cc(-c2cnc3[nH]ccc3c2)ncn1
Basic Information
| ChEMBL ID | CHEMBL4518868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBKWTUJGGGAQEV-SNAWJCMRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
546.6
MW (Da)
5.38
ALogP
7
HBA
4
HBD
127.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta CHEMBL5667 | IC50 | 4.69 | 4.69 | 20500.0 | 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 | = | 6500.0 | nM | 5.19 | Inhibition of PI5P4Kalpha (unknown origin) incubated for 15 mins in presence of ... | 32184968 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | IC50 | = | 20500.0 | nM | 4.69 | 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