Compound Detail
CHEMBL4776833
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Basic Information
| ChEMBL ID | CHEMBL4776833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGEUNGPQYYKVCP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.93
ALogP
7
HBA
2
HBD
85.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.2 | 6.2 | 638.4 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 5.02 | 5.02 | 9640.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.0 | 5.0 | 10090.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.54 | 4.54 | 28940.0 | 1 |
| L02 CHEMBL4296457 | IC50 | 4.31 | 4.31 | 48940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 638.4 | nM | 6.2 | Inhibition of EGFR T790M/L858R mutant (unknown origin) using FAM-labelled peptid... | 32912435 |
| NCI-H1975 | IC50 | = | 9640.0 | nM | 5.02 | Antiproliferation activity against human NCI-H1975 cells harboring EGFR T790M/L8... | 32912435 |
| A549 | IC50 | = | 10090.0 | nM | 5.0 | Antiproliferation activity against human A549 cells assessed as reduction in cel... | 32912435 |
| HeLa | IC50 | = | 28940.0 | nM | 4.54 | Antiproliferation activity against human HeLa cells assessed as reduction in cel... | 32912435 |
| L02 | IC50 | = | 48940.0 | nM | 4.31 | Cytotoxicity against human L02 cells assessed as reduction in cell viability mea... | 32912435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32912435 | 10.1016/j.bmc.2020.115669 | Epidermal growth factor receptor | 6 |
| 32912435 | 10.1016/j.bmc.2020.115669 | Unchecked | 2 |
| 32912435 | 10.1016/j.bmc.2020.115669 | A549 | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | NCI-H1975 | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | HeLa | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | MCF7 | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | L02 | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | Serine/threonine-protein kinase mTOR | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | Hepatocyte growth factor receptor | 1 |
| 32912435 | 10.1016/j.bmc.2020.115669 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine