Compound Detail
CHEMBL5989646
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Basic Information
| ChEMBL ID | CHEMBL5989646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBBUROCOOQIYJK-NRFANRHFSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.08
ALogP
6
HBA
2
HBD
110.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 9.21 | 9.21 | 0.6 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 0.62 | nM | 9.21 | AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... | - |
| AP2-associated protein kinase 1 | IC50 | = | 0.62 | nM | 9.21 | AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... | - |
| AP2-associated protein kinase 1 | IC50 | = | 0.62 | nM | 9.21 | AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... | - |
| AP2-associated protein kinase 1 | IC50 | = | 0.62 | nM | 9.21 | Kinase Assay: The assays were performed in U-bottom 384-well plates. The final a... | - |
| AP2-associated protein kinase 1 | IC50 | = | 0.62 | nM | 9.21 | AAK1 Kinase Assay: The assays were performed in U-bottom 384-well plates. The fi... | - |
Data from ChEMBL 36 via Core Engine