Compound Detail
CHEMBL6050954
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CC(C)n1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(-c2ccc(Cl)cc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL6050954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAYDKJUOZPKEMX-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
482.0
MW (Da)
3.31
ALogP
8
HBA
3
HBD
132.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type 1D CHEMBL5073 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type 1D | IC50 | = | 6.0 | nM | 8.22 | Biochemical CaMK1D Enzymatic Activity Assay: The following describes an ADP-Glo ... | - |
Data from ChEMBL 36 via Core Engine