Compound Detail
CHEMBL540590
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Basic Information
| ChEMBL ID | CHEMBL540590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICKNBJXXMOMBGV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1190313 |
| Active Moiety | CHEMBL1190313 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.2
MW (Da)
5.26
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 48.0 | nM | 7.32 | Concentration needed to inhibit the phosphorylation of a 14-residue fragment of ... | 10639288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10639288 | 10.1021/jm9903949 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine