Compound Detail
CHEMBL440298
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Basic Information
| ChEMBL ID | CHEMBL440298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWCNJMUSWLTSCW-SFQUDFHCSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.14
ALogP
4
HBA
3
HBD
93.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.96 | 5.476 | 1100.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; Grin1/Grin2b | IC50 | = | 560.0 | nM | 6.25 | Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1/2B. | 10464027 |
| Epidermal growth factor receptor | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of polyGAT phosphorylation | 1676428 |
| Epidermal growth factor receptor | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of HER14 (human EGFR overexpressing) cell proliferation. | 1676428 |
| Epidermal growth factor receptor | IC50 | = | 5011.87 | nM | 5.3 | Inhibitory activity against epidermal growth factor receptor (EGFR) | 14561085 |
| Epidermal growth factor receptor | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Epidermal growth factor receptor autophosphorylation | 10464027 |
| Epidermal growth factor receptor | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibition of HER1 autophosphorylation. | 1676428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1676428 | 10.1021/jm00110a022 | Epidermal growth factor receptor | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2b | 1 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2c | 1 |
| 10464027 | 10.1021/jm990199u | Alpha-1A adrenergic receptor | 1 |
| 10464027 | 10.1021/jm990199u | Epidermal growth factor receptor | 1 |
| 10464027 | 10.1021/jm990199u | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 10464027 | 10.1021/jm990199u | Glutamate NMDA receptor; Grin1/Grin2a | 1 |
| 1676428 | 10.1021/jm00110a022 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 1676428 | 10.1021/jm00110a022 | NIH3T3 | 1 |
| 17724020 | 10.1074/jbc.m705456200 | Catechol O-methyltransferase | 1 |
| 17724020 | 10.1074/jbc.m705456200 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 14561085 | 10.1021/jm030065n | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 14561085 | 10.1021/jm030065n | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine