Compound Detail
CHEMBL31816
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Basic Information
| ChEMBL ID | CHEMBL31816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTKYOILJQJQIHX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.8
MW (Da)
3.69
ALogP
6
HBA
2
HBD
89.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.02 | 7.78 | 0.9 | 2 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.95 | nM | 9.02 | Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer b... | 10753475 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 125.0 | nM | 6.9 | Inhibition of autophosphorylation of ERBB2 receptor kinase in MDA-MB 453 cells | 10753475 |
| Epidermal growth factor receptor | IC50 | = | 291.0 | nM | 6.54 | Inhibition of EGF-stimulated autophosphorylation of EGFR enzyme in A431 cells de... | 10753475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753475 | 10.1021/jm990482t | Epidermal growth factor receptor | 3 |
| 10753475 | 10.1021/jm990482t | Receptor tyrosine-protein kinase erbB-2 | 1 |
Data from ChEMBL 36 via Core Engine