Compound Detail
CHEMBL104357
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CCN(CC)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL104357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHPSRWXDXFWLHF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
496.4
MW (Da)
5.53
ALogP
6
HBA
1
HBD
80.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 14.0 | nM | 7.85 | Inhibitory activity against avian c-Src tyrosine kinase was determined. | 10956222 |
| Fibroblast growth factor receptor 1 | IC50 | = | 180.0 | nM | 6.75 | Inhibitory activity against fibroblast growth factor receptor 1 | 10956222 |
| Platelet-derived growth factor receptor beta | IC50 | = | 290.0 | nM | 6.54 | Inhibitory activity against mouse PDGF beta receptor tyrosine kinase | 10956222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956222 | 10.1021/jm000148t | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 10956222 | 10.1021/jm000148t | Platelet-derived growth factor receptor beta | 1 |
| 10956222 | 10.1021/jm000148t | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine