Compound Detail
CHEMBL108333
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Basic Information
| ChEMBL ID | CHEMBL108333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXTVIIYXNZBKDS-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
474.4
MW (Da)
4.35
ALogP
6
HBA
1
HBD
53.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| SW-620 CHEMBL612262 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 41.0 | nM | 7.39 | Inhibitory activity against avian c-Src tyrosine kinase was determined. | 10956222 |
| Fibroblast growth factor receptor 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity against fibroblast growth factor receptor 1 | 10956222 |
| Platelet-derived growth factor receptor beta | IC50 | = | 1100.0 | nM | 5.96 | Inhibitory activity against mouse PDGF beta receptor tyrosine kinase | 10956222 |
| HT-29 | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory activity against HT-29 human colon adenocarcinoma cells was determine... | 10956222 |
| HCT-8 | IC50 | = | 2400.0 | nM | 5.62 | Inhibitory activity against HCT-8 human colon adenocarcinoma cells was determine... | 10956222 |
| SW-620 | IC50 | = | 2600.0 | nM | 5.58 | Inhibitory activity against SW-620 human colon adenocarcinoma cells was determin... | 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 |
| 10956222 | 10.1021/jm000148t | HCT-8 | 1 |
| 10956222 | 10.1021/jm000148t | SW-620 | 1 |
| 10956222 | 10.1021/jm000148t | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine