Compound Detail
CHEMBL5830033
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Basic Information
| ChEMBL ID | CHEMBL5830033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAQLYTILMDGYCM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.12
ALogP
7
HBA
3
HBD
129.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.22 | 7.23 | 6.0 | 2 |
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 7.72 | 6.78 | 19.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
| Unchecked | IC50 | = | 577.0 | nM | 6.24 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 1433.0 | nM | 5.84 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
Data from ChEMBL 36 via Core Engine