Compound Detail
CHEMBL5815380
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Basic Information
| ChEMBL ID | CHEMBL5815380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZGZBUFREKYIRA-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.44
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 8.31 | 8.31 | 4.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.31 | 8.2875 | 4.9 | 4 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.21 | 5.21 | 6090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 | IC50 | = | 4.9 | nM | 8.31 | Biological Assay: Most known kinase inhibitors bind in the ATP-binding pocket of... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 4.9 | nM | 8.31 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 4.9 | nM | 8.31 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 5.3 | nM | 8.28 | Biological Assay: Two types of enzyme assays were developed to follow TgCDPK1 ac... | - |
| Unchecked | IC50 | = | 5.3 | nM | 8.28 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 5.3 | nM | 8.28 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6090.0 | nM | 5.21 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
Data from ChEMBL 36 via Core Engine