Compound Detail
CHEMBL104011
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Basic Information
| ChEMBL ID | CHEMBL104011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDTKJTQWHUMMDU-HTAVTVPLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.25
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor CHEMBL2095189 | IC50 | 7.82 | 6.94 | 15.0 | 2 |
| HASMC CHEMBL614150 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Platelet-derived growth factor receptor | 12941341 |
| HASMC | IC50 | = | 61.0 | nM | 7.21 | Inhibition of mitogenesis in human aortic smooth muscle cells(HASMC) | 12941341 |
| Platelet-derived growth factor receptor | IC50 | = | 879.0 | nM | 6.06 | Inhibition of Platelet-derived growth factor receptor | 12941341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941341 | 10.1016/s0960-894x(03)00654-1 | Platelet-derived growth factor receptor | 3 |
| 12941341 | 10.1016/s0960-894x(03)00654-1 | HASMC | 1 |
Data from ChEMBL 36 via Core Engine