Compound Detail
CHEMBL4170121
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Basic Information
| ChEMBL ID | CHEMBL4170121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWYDZOGYPFSWHW-CQSZACIVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.82
ALogP
5
HBA
2
HBD
72.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| PBMC CHEMBL613107 | IC50 | 5.6 | 5.49 | 2500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.6 | nM | 9.22 | Inhibition of human EGFR using poly[Glu:Tyr] (4:1) as substrate in presence of [... | 27614407 |
| PBMC | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of IL-5 secretion in anti-human CD3 antibody/anti-human CD28 antibody... | 29909341 |
| PBMC | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of IL-17 secretion in anti-human CD3 antibody/anti-human CD28 antibod... | 29909341 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29909341 | 10.1016/j.ejmech.2018.06.019 | PBMC | 3 |
| 27614407 | 10.1016/j.ejmech.2016.08.068 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine