Compound Detail
CHEMBL4127773
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Basic Information
| ChEMBL ID | CHEMBL4127773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOOYSJIWTIHOGW-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
2.47
ALogP
8
HBA
0
HBD
85.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 8.55 | 8.4975 | 2.8 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 100.0 | % | Mus musculus |
| T1/2 | 3.6 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 2.8 | nM | 8.55 | Inhibition of recombinant AAK1 expressed in human HEK293F cells co-expressed wit... | 36640459 |
| AP2-associated protein kinase 1 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of AAK1 (unknown origin) | 34270254 |
| AP2-associated protein kinase 1 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of recombinant human GST-Xa-tagged-AAK1 (30 to 330 residues) expresse... | 35171586 |
| AP2-associated protein kinase 1 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of recombinant AAK1 (unknown origin) expressed in baculovirus assesse... | 36640459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36640459 | 10.1016/j.ejmech.2023.115102 | AP2-associated protein kinase 1 | 2 |
| 36640459 | 10.1016/j.ejmech.2023.115102 | ADMET | 2 |
| 29752185 | 10.1016/j.bmcl.2018.05.007 | ADMET | 1 |
| 34270254 | 10.1021/acs.jmedchem.1c00472 | AP2-associated protein kinase 1 | 1 |
| 35171586 | 10.1021/acs.jmedchem.1c01966 | AP2-associated protein kinase 1 | 1 |
| 38377825 | 10.1016/j.ejmech.2024.116232 | AP2-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine