Compound Detail
CHEMBL328216
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Basic Information
| ChEMBL ID | CHEMBL328216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADXSZLCTQCWMTE-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
3.30
ALogP
5
HBA
3
HBD
89.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.92 | 9.7817 | 0.1 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.12 | nM | 9.92 | Evaluation of inhibitory activity against phospholipase C-gamma1 phosphorylation... | 7658435 |
| Epidermal growth factor receptor | IC50 | = | 0.12 | nM | 9.92 | Concentration required to inhibit the phosphorylation of a 14-residue fragment o... | 8568816 |
| Epidermal growth factor receptor | IC50 | = | 0.12 | nM | 9.92 | Inhibition of tyrosine kinase activity of Epidermal growth factor receptor from ... | 8632415 |
| Epidermal growth factor receptor | IC50 | = | 0.1202 | nM | 9.92 | Inhibition of EGFR | 18271520 |
| Epidermal growth factor receptor | IC50 | = | 0.12 | nM | 9.92 | Inhibition of wild type EGFR | 18077363 |
| Epidermal growth factor receptor | IC50 | = | 0.81 | nM | 9.09 | Inhibition of EGFR | 20797871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 26 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Ribosomal protein S6 kinase alpha-3 | 2 |
| 20797871 | 10.1016/j.bmc.2010.08.004 | Epidermal growth factor receptor | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit beta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase Chk2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase-like 1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 25 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type IV | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit gamma | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 7658435 | 10.1021/jm00018a008 | Epidermal growth factor receptor | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1G | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1D | 1 |
| 18077363 | 10.1073/pnas.0708800104 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Epidermal growth factor receptor | 1 |
| 18271520 | 10.1021/jm070654j | Epidermal growth factor receptor | 1 |
| 8632415 | 10.1021/jm950692f | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine