Compound Detail
CHEMBL3809045
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Basic Information
| ChEMBL ID | CHEMBL3809045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPJNUSTYUBHFBH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
357.2
MW (Da)
4.87
ALogP
5
HBA
1
HBD
50.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| HaCaT CHEMBL614392 | IC50 | 5.58 | 5.58 | 2620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 880.0 | nM | 6.06 | Inhibition of EGFR-TK in human A431 cell lysate assessed as reduction in EGF sti... | 27135370 |
| A-431 | IC50 | = | 2040.0 | nM | 5.69 | Antiproliferative activity against human A431 cells assessed as cell growth inhi... | 27135370 |
| HaCaT | IC50 | = | 2620.0 | nM | 5.58 | Antiproliferative activity against human HaCaT cells assessed as cell growth inh... | 27135370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27135370 | 10.1016/j.ejmech.2016.04.002 | Epidermal growth factor receptor | 6 |
| 27135370 | 10.1016/j.ejmech.2016.04.002 | A-431 | 3 |
| 27135370 | 10.1016/j.ejmech.2016.04.002 | HaCaT | 1 |
| 27135370 | 10.1016/j.ejmech.2016.04.002 | ADMET | 1 |
| 27135370 | 10.1016/j.ejmech.2016.04.002 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine