Compound Detail
CHEMBL3814257
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Basic Information
| ChEMBL ID | CHEMBL3814257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNTRYOBVOOQKFI-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
4.12
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.18 | 7.3967 | 0.7 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.65 | 5.775 | 224.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.662 | nM | 9.18 | Inhibition of recombinant human EGFR expressed in baculovirus by fluorescence ba... | 27288180 |
| NON-PROTEIN TARGET | IC50 | = | 224.7 | nM | 6.65 | Antiproliferative activity against gefitinib-sensitive human PC9 cells assessed ... | 27288180 |
| Epidermal growth factor receptor | IC50 | = | 264.0 | nM | 6.58 | Inhibition of wild type EGFR (unknown origin) expressed in mouse BaF/3 cells ass... | 27288180 |
| Epidermal growth factor receptor | IC50 | = | 371.0 | nM | 6.43 | Inhibition of EGFR L858R mutant (unknown origin) expressed in mouse BaF/3 cells ... | 27288180 |
| NON-PROTEIN TARGET | IC50 | = | 12620.0 | nM | 4.9 | Antiproliferative activity against gefitinib-resistant human PC9/GR4 cells expre... | 27288180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27288180 | 10.1016/j.bmc.2016.05.063 | Epidermal growth factor receptor | 7 |
| 27288180 | 10.1016/j.bmc.2016.05.063 | NON-PROTEIN TARGET | 2 |
| 32781216 | 10.1016/j.bmcl.2020.127472 | Middle East respiratory syndrome-related coronavirus | 1 |
| 32781216 | 10.1016/j.bmcl.2020.127472 | Vero | 1 |
| 32781216 | 10.1016/j.bmcl.2020.127472 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine