Compound Detail
CHEMBL291986
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Basic Information
| ChEMBL ID | CHEMBL291986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKHXJJMDMFKAPD-FOWTUZBSSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
2.35
ALogP
5
HBA
2
HBD
87.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.37 | 4.815 | 4300.0 | 2 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of polyGAT phosphorylation | 1676428 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 49000.0 | nM | 4.31 | In vitro inhibition of ERBB2 receptor kinase autophosphorylation. | 1676428 |
| Epidermal growth factor receptor | IC50 | = | 55000.0 | nM | 4.26 | In vitro inhibition of HER1 autophosphorylation. | 1676428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1676428 | 10.1021/jm00110a022 | Epidermal growth factor receptor | 2 |
| 1676428 | 10.1021/jm00110a022 | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine