Compound Detail
CHEMBL3092312
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Basic Information
| ChEMBL ID | CHEMBL3092312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGEKYFHTUYMNNG-HNNXBMFYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
520.0
MW (Da)
4.46
ALogP
8
HBA
3
HBD
115.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.4 | 6.33 | 400.0 | 2 |
| A-431 CHEMBL614069 | IC50 | 4.66 | 4.66 | 22008.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 400.0 | nM | 6.4 | Inhibition of EGFR T790M/L858M double mutant (unknown origin) expressed in bacul... | 24183742 |
| Epidermal growth factor receptor | IC50 | = | 544.0 | nM | 6.26 | Inhibition of wild type EGFR (unknown origin) expressed in baculovirus expressio... | 24183742 |
| A-431 | IC50 | = | 22008.0 | nM | 4.66 | Antiproliferative activity against human A431 cells after 72 hrs by SRB assay | 24183742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24183742 | 10.1016/j.bmc.2013.09.049 | Epidermal growth factor receptor | 2 |
| 24183742 | 10.1016/j.bmc.2013.09.049 | NCI-H1975 | 1 |
| 24183742 | 10.1016/j.bmc.2013.09.049 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine