Compound Detail
CHEMBL5194947
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 | CHEMBL5194947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEWDGPNKOHRMCP-HNNXBMFYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
3.74
ALogP
4
HBA
2
HBD
77.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL5169154 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | Ki | = | 27.0 | nM | 7.57 | Displacement of 3H-LP-927443 from AAK1 in C57BL6 mouse brain homogenate assessed... | 35261239 |
| Cytochrome P450 3A4 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of CYP3A4 (unknown origin) incubated for 10 mins in presence of NADPH... | 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