Compound Detail
CHEMBL3040455
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Basic Information
| ChEMBL ID | CHEMBL3040455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVDARJHLGCNCRG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
549.1
MW (Da)
7.46
ALogP
7
HBA
2
HBD
72.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.25 | 7.25 | 56.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 56.24 | nM | 7.25 | In Vitro Kinase Assay: In vitro kinase analysis was performed by using HTScan EG... | - |
| Epidermal growth factor receptor | IC50 | = | 56.24 | nM | 7.25 | In Vitro Kinase Assay: In vitro kinase analysis was performed by using HTScan EG... | - |
Data from ChEMBL 36 via Core Engine