Compound Detail
CHEMBL5175327
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 | CHEMBL5175327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLODJNVFPYXMCX-KRWDZBQOSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
4.59
ALogP
4
HBA
1
HBD
61.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 8.66 | 8.6567 | 2.2 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 2.2 | nM | 8.66 | AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... | - |
| AP2-associated protein kinase 1 | IC50 | = | 2.2 | nM | 8.66 | Kinase Assay: The assays were performed in U-bottom 384-well plates. The final a... | - |
| AP2-associated protein kinase 1 | IC50 | = | 2.2 | nM | 8.66 | AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... | - |
| AP2-associated protein kinase 1 | IC50 | = | 2.2 | nM | 8.66 | AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... | - |
| AP2-associated protein kinase 1 | IC50 | = | 2.2 | nM | 8.66 | Kinase Assay: The assays were performed in U-bottom 384-well plates. The final a... | - |
| AP2-associated protein kinase 1 | IC50 | = | 2.3 | nM | 8.64 | Inhibition of bacterially expressed GST-Xa-tagged human AAK1 using 5-FAM-labelle... | 35261239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35261239 | 10.1021/acs.jmedchem.1c02132 | ADMET | 3 |
| 35261239 | 10.1021/acs.jmedchem.1c02132 | AP2-associated protein kinase 1 | 1 |
| 35261239 | 10.1021/acs.jmedchem.1c02132 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine