Compound Detail
CHEMBL6047545
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Basic Information
| ChEMBL ID | CHEMBL6047545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUZYGKOYMBGUKX-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
4.26
ALogP
4
HBA
1
HBD
56.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 8.32 | 8.32 | 4.8 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.32 | 8.1625 | 4.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 | IC50 | = | 4.8 | nM | 8.32 | Biological Assay: Most known kinase inhibitors bind in the ATP-binding pocket of... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 4.8 | nM | 8.32 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 4.8 | nM | 8.32 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 7.8 | nM | 8.11 | Biological Assay: Two types of enzyme assays were developed to follow TgCDPK1 ac... | - |
| Unchecked | IC50 | = | 7.8 | nM | 8.11 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 7.8 | nM | 8.11 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
Data from ChEMBL 36 via Core Engine