Compound Detail
CHEMBL4175786
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Basic Information
| ChEMBL ID | CHEMBL4175786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBRVCZSXNXYZKS-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.92
ALogP
5
HBA
2
HBD
62.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.23
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium-dependent protein kinase 1 CHEMBL1908387 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 6.23 | 6.13 | 592.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium-dependent protein kinase 1 | Ki | = | 37.0 | nM | 7.43 | Inhibition of Plasmodium falciparum recombinant His-tagged CDPK1 expressed in Es... | 29771541 |
| Tyrosine-protein kinase Fyn | IC50 | = | 592.0 | nM | 6.23 | ADP-Glo Kinase Assay: The assay procedure determines the IC50 of each potential ... | - |
| Tyrosine-protein kinase Fyn | IC50 | = | 592.0 | nM | 6.23 | ADP-Glo™ Kinase Assay: The ADP-Glo™ Kinase Assay is specifically designed to qua... | - |
| Tyrosine-protein kinase Fyn | IC50 | = | 930.0 | nM | 6.03 | ADP-Glo Kinase Assay: The assay procedure determines the IC50 of each potential ... | - |
| Tyrosine-protein kinase Fyn | IC50 | = | 930.0 | nM | 6.03 | ADP-Glo™ Kinase Assay: The ADP-Glo™ Kinase Assay is specifically designed to qua... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29771541 | 10.1021/acs.jmedchem.8b00329 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 29771541 | 10.1021/acs.jmedchem.8b00329 | Calcium-dependent protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine