Compound Detail
CHEMBL188304
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL188304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQUDAGONIFHBJH-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
276.7
MW (Da)
3.57
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of Epidermal growth factor receptor | 15267243 |
| Epidermal growth factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of EGFR | 17270437 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of VEGFR-2 (unknown origin) | 28851503 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against human DiFi cells assessed as inhibition of ce... | 28851503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15267243 | 10.1021/jm049892u | Vascular endothelial growth factor receptor 2 | 1 |
| 15267243 | 10.1021/jm049892u | Epidermal growth factor receptor | 1 |
| 15267243 | 10.1021/jm049892u | Vascular endothelial growth factor receptor | 1 |
| 15267243 | 10.1021/jm049892u | Epidermal growth factor receptor and ErbB2 (HER1 and HER2) | 1 |
| 15267243 | 10.1021/jm049892u | Unchecked | 1 |
| 17270437 | 10.1016/j.bmcl.2007.01.002 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 17270437 | 10.1016/j.bmcl.2007.01.002 | Epidermal growth factor receptor | 1 |
| 28851503 | 10.1016/j.ejmech.2017.08.009 | Epidermal growth factor receptor | 1 |
| 28851503 | 10.1016/j.ejmech.2017.08.009 | Vascular endothelial growth factor receptor 2 | 1 |
| 28851503 | 10.1016/j.ejmech.2017.08.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine