Compound Detail
CHEMBL5271652
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Basic Information
| ChEMBL ID | CHEMBL5271652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTNQCVCTWUXGQQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.12
ALogP
6
HBA
2
HBD
108.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 7.85 | 7.57 | 14.0 | 2 |
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 | = | 14.0 | nM | 7.85 | Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expres... | 34699202 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | IC50 | = | 51.0 | nM | 7.29 | Inhibition of recombinant full length His-tagged PIP4K2A (unknown origin) expres... | 34699202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34699202 | 10.1021/acs.jmedchem.1c01245 | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 6 |
| 34699202 | 10.1021/acs.jmedchem.1c01245 | ADMET | 3 |
| 34699202 | 10.1021/acs.jmedchem.1c01245 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine