Compound Detail
CHEMBL31745
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Basic Information
| ChEMBL ID | CHEMBL31745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPIMRCZSRFWHDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.2
MW (Da)
3.97
ALogP
5
HBA
2
HBD
90.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.2 | 5.2 | 6266.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 6266.2 | nM | 5.2 | Inhibition of peptide substrate phosphorylation by epidermal growth factor recep... | 15006373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15006373 | 10.1016/j.bmcl.2004.01.034 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine