Compound Detail
CHEMBL1775038
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Basic Information
| ChEMBL ID | CHEMBL1775038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPDSRMMNSWFLRF-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
527.1
MW (Da)
4.98
ALogP
8
HBA
1
HBD
68.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Ki | 6.24 | 6.24 | 580.0 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 5.92 | 5.92 | 1200.0 | 2 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | Ki | 4.81 | 4.81 | 15500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | Ki | = | 580.0 | nM | 6.24 | Inhibition of human recombinant c-Abl by filter-binding assay | 21443205 |
| Tyrosine-protein kinase ABL1 | Ki | = | 580.0 | nM | 6.24 | Inhibition of Abl | 22853993 |
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 1200.0 | nM | 5.92 | Inhibition of human recombinant c-Src by filter-binding assay | 21443205 |
| Proto-oncogene tyrosine-protein kinase Src | Ki | = | 1200.0 | nM | 5.92 | Inhibition of c-Src | 22853993 |
| Tyrosine-protein kinase Fyn | Ki | = | 15500.0 | nM | 4.81 | Inhibition of human recombinant full-length Fyn using Src substrate peptide afte... | 25923950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21443205 | 10.1021/jm1012819 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 21443205 | 10.1021/jm1012819 | Tyrosine-protein kinase ABL1 | 1 |
| 22853993 | 10.1016/j.bmcl.2012.07.014 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 22853993 | 10.1016/j.bmcl.2012.07.014 | Tyrosine-protein kinase ABL1 | 1 |
| 25923950 | 10.1021/acs.jmedchem.5b00140 | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine