Compound Detail
CHEMBL5440409
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
Basic Information
| ChEMBL ID | CHEMBL5440409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHNVDJAROSTCCJ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
3
PK Parameters
10
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.11
ALogP
6
HBA
2
HBD
84.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Kd 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma CHEMBL1770034 | Kd | 8.15 | 8.15 | 7.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
| Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma CHEMBL1908383 | Kd | 6.64 | 6.64 | 230.0 | 1 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha CHEMBL1795194 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4520.0 | ng.hr.mL-1 | Mus musculus |
| T1/2 | 0.74 | hr | Mus musculus |
| T1/2 | 0.7 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | Kd | = | 7.1 | nM | 8.15 | Binding affinity to wild type human PI5P4Kgamma assessed as dissociation constan... | 36516442 |
| Unchecked | IC50 | = | 79.43 | nM | 7.1 | Inhibition of GST fused human PI5P4Kgamma mutant harboring PI5P4Kalpha G-loop re... | 36516442 |
| Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma | Kd | = | 230.0 | nM | 6.64 | Binding affinity to wild type human PIP5K1C assessed as dissociation constant in... | 36516442 |
| Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | IC50 | = | 251.19 | nM | 6.6 | Inhibition of ePL-tagged wild type human PI5P4Kalpha in human HEK293 cells incub... | 36516442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36516442 | 10.1021/acs.jmedchem.2c01693 | ADMET | 11 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | 2 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Unchecked | 1 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Aurora kinase B | 1 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Dual specificity protein kinase CLK2 | 1 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | 1 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma | 1 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Dopamine receptor | 1 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 1 |
| 36516442 | 10.1021/acs.jmedchem.2c01693 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine