Compound Detail
CHEMBL138691
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Basic Information
| ChEMBL ID | CHEMBL138691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXKNVASLVHCEQV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.3
MW (Da)
3.61
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.38 | 7.01 | 4.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 4.2 | nM | 8.38 | Inhibition of phosphorylation of a polyglutamic acid/tyrosine random copolymer b... | 11462982 |
| Epidermal growth factor receptor | IC50 | = | 2282.0 | nM | 5.64 | Inhibition of autophosphorylation of EGFR in A431 cells | 11462982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11462982 | 10.1021/jm000372i | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine