Compound Detail
CHEMBL259395
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Basic Information
| ChEMBL ID | CHEMBL259395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIRQUSOSPFDYMI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
5.97
ALogP
5
HBA
2
HBD
81.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.55 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibition of PDGFR expressed in NIH cells by Western blot analysis | 18343125 |
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of VEGFR expressed in PAE cells by Western blot analysis | 18343125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18343125 | 10.1016/j.bmc.2008.02.081 | Unchecked | 2 |
| 18343125 | 10.1016/j.bmc.2008.02.081 | Epidermal growth factor receptor | 1 |
| 18343125 | 10.1016/j.bmc.2008.02.081 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 18343125 | 10.1016/j.bmc.2008.02.081 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine