Compound Detail
CHEMBL162142
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Basic Information
| ChEMBL ID | CHEMBL162142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKSUBOCXWXIPAH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.3
MW (Da)
3.91
ALogP
6
HBA
3
HBD
91.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.11 | 8.655 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.78 | nM | 9.11 | Inhibit of phosphorylation of a tyrosine/glutamic acid copolymer by epidermal gr... | 9513602 |
| Epidermal growth factor receptor | IC50 | = | 6.3 | nM | 8.2 | Inhibition of autophosphorylation of epidermal growth factor receptor in A431 ce... | 9513602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9513602 | 10.1021/jm970641d | Epidermal growth factor receptor | 2 |
| 9513602 | 10.1021/jm970641d | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine