Compound Detail
CHEMBL4862414
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Basic Information
| ChEMBL ID | CHEMBL4862414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTKKFZJFLLVSJH-CYBMUJFWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.65
ALogP
4
HBA
2
HBD
81.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 6.77 | 6.77 | 170.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of recombinant GST-Xa-tagged human AAK1 (30 to 330 residues) using 5-... | 34270254 |
| AP2-associated protein kinase 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of recombinant human GST-Xa-tagged-AAK1 (30 to 330 residues) using (5... | 35171586 |
| AP2-associated protein kinase 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of AAK1 (unknown origin) | 36640459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34270254 | 10.1021/acs.jmedchem.1c00472 | ADMET | 3 |
| 34270254 | 10.1021/acs.jmedchem.1c00472 | AP2-associated protein kinase 1 | 1 |
| 35171586 | 10.1021/acs.jmedchem.1c01966 | AP2-associated protein kinase 1 | 1 |
| 36640459 | 10.1016/j.ejmech.2023.115102 | AP2-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine