Compound Detail
CHEMBL79177
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Basic Information
| ChEMBL ID | CHEMBL79177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQTIAPJPNNWWDC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.04
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of [32P]ATP incorporated (phosphorylation) into glutamate-tyrosine co... | 10395478 |
| Fibroblast growth factor receptor 1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of [32P]ATP incorporated (phosphorylation) into glutamate-tyrosine co... | 10395478 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of [32P]ATP incorporated (phosphorylation) into glutamate-tyrosine co... | 10395478 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395478 | 10.1021/jm980658b | Platelet-derived growth factor receptor beta | 1 |
| 10395478 | 10.1021/jm980658b | Fibroblast growth factor receptor 1 | 1 |
| 10395478 | 10.1021/jm980658b | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine