Compound Detail
CHEMBL5997598
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Basic Information
| ChEMBL ID | CHEMBL5997598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEHMFFDBKCHBHU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.44
ALogP
6
HBA
2
HBD
109.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 CHEMBL1781862 | IC50 | 8.52 | 8.22 | 3.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.35 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calmodulin-domain protein kinase 1 | IC50 | = | 3.0 | nM | 8.52 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Luminescent Kinase Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
| Calmodulin-domain protein kinase 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition Assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using a lumin... | - |
Data from ChEMBL 36 via Core Engine