Compound Detail
CHEMBL3622664
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Basic Information
| ChEMBL ID | CHEMBL3622664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOMMDNGJCLCAHZ-ONEGZZNKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
4.81
ALogP
6
HBA
3
HBD
88.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.9 | nM | 9.05 | Inhibition of EGFR (unknown origin) by ELISA method | 26310890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26310890 | 10.1016/j.ejmech.2015.08.026 | Mus musculus | 6 |
| 26310890 | 10.1016/j.ejmech.2015.08.026 | NCI-H1975 | 2 |
| 26310890 | 10.1016/j.ejmech.2015.08.026 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine