Compound Detail
CHEMBL1917092
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Basic Information
| ChEMBL ID | CHEMBL1917092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIFVNEIUOPEMEX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.3
MW (Da)
3.16
ALogP
4
HBA
0
HBD
72.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of HER2 | 21413808 |
| Epidermal growth factor receptor | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of HER1 | 21413808 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of recombinant human 5-LOX in human PBML assessed as inhibition of A2... | 21958737 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21958737 | 10.1016/j.bmc.2011.09.003 | Prostaglandin G/H synthase 2 | 1 |
| 21958737 | 10.1016/j.bmc.2011.09.003 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21413808 | 10.1021/jm1013693 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 21413808 | 10.1021/jm1013693 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine