Compound Detail
CHEMBL4564931
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Basic Information
| ChEMBL ID | CHEMBL4564931 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMDXTFNEXXOCHC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
7
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.11
ALogP
7
HBA
2
HBD
119.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.3 | 7.5 | 5.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 42.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 1.2 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 1.4 | mL.min-1.g-1 | Mus musculus |
| CL | 0.5 | mL.min-1.g-1 | Homo sapiens |
| CL | 6.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 1.5 | % | Rattus norvegicus |
| T1/2 | 3.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 5.012 | nM | 8.3 | Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated fo... | 27429068 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 199.53 | nM | 6.7 | Inhibition of PI3Kdelta in human PBMC assessed as reduction in cytostim-induced ... | 27429068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27429068 | 10.1021/acs.jmedchem.6b00799 | ADMET | 9 |
| 27429068 | 10.1021/acs.jmedchem.6b00799 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 3 |
| 27429068 | 10.1021/acs.jmedchem.6b00799 | Unchecked | 3 |
| 27429068 | 10.1021/acs.jmedchem.6b00799 | Albumin | 1 |
| 27429068 | 10.1021/acs.jmedchem.6b00799 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine