Compound Detail
CHEMBL1652677
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Basic Information
| ChEMBL ID | CHEMBL1652677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBAJDSDQGTWEPG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
482.0
MW (Da)
3.11
ALogP
9
HBA
1
HBD
110.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 8.0 | 7.9 | 10.0 | 2 |
| Lymphocyte CHEMBL612599 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 34.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 133.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-kinase beta | IC50 | = | 10.0 | nM | 8.0 | Inhibition of recombinant human full length GST-tagged PI4K3beta expressed in ba... | 29952567 |
| Phosphatidylinositol 4-kinase beta | IC50 | = | 16.0 | nM | 7.8 | Inhibition of PI4K3beta in human PBMC assessed as reduction in mitomycin-C treat... | 29952567 |
| Lymphocyte | IC50 | = | 50.0 | nM | 7.3 | Immunosuppressive activity in peripheral blood lymphocytes isolated from two ind... | 21171614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21171614 | 10.1021/jm101254z | Mus musculus | 2 |
| 29952567 | 10.1021/acs.jmedchem.8b00521 | Phosphatidylinositol 4-kinase beta | 2 |
| 29952567 | 10.1021/acs.jmedchem.8b00521 | ADMET | 2 |
| 29952567 | 10.1021/acs.jmedchem.8b00521 | No relevant target | 2 |
| 21171614 | 10.1021/jm101254z | Lymphocyte | 1 |
| 29952567 | 10.1021/acs.jmedchem.8b00521 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 29952567 | 10.1021/acs.jmedchem.8b00521 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine