Compound Detail
CHEMBL3578223
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Basic Information
| ChEMBL ID | CHEMBL3578223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGZMKJMPNOAZTM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
4.19
ALogP
7
HBA
1
HBD
78.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Fyn CHEMBL1841 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Fyn | Ki | = | 10000.0 | nM | 5.0 | Inhibition of human recombinant full-length Fyn using Src substrate peptide afte... | 25923950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25923950 | 10.1021/acs.jmedchem.5b00140 | K562 | 1 |
| 25923950 | 10.1021/acs.jmedchem.5b00140 | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine