Compound Detail
CHEMBL4104302
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Basic Information
| ChEMBL ID | CHEMBL4104302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHFKMBKXODPUFW-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
458.9
MW (Da)
4.75
ALogP
5
HBA
3
HBD
106.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| EBC-1 CHEMBL4296411 | IC50 | 6.89 | 6.89 | 127.4 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 6.76 | 6.76 | 172.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.55 | 6.55 | 279.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 6.41 | 6.41 | 387.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.65 | 5.65 | 2216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant c-MET (unknown origin) using poly (Glu, Tyr) 4:1 as su... | 28412159 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 55.0 | nM | 7.26 | Inhibition of VEGFR-2 (unknown origin) by HTRF method | 28412159 |
| EBC-1 | IC50 | = | 127.4 | nM | 6.89 | Antiproliferative activity against human EBC1 cells after 72 hrs by MTT assay | 28412159 |
| Platelet-derived growth factor receptor alpha | IC50 | = | 172.0 | nM | 6.76 | Inhibition of PDGFRalpha (unknown origin) by HTRF method | 28412159 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 279.0 | nM | 6.55 | Inhibition of KIT (unknown origin) by HTRF method | 28412159 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 387.0 | nM | 6.41 | Inhibition of RET (unknown origin) by HTRF method | 28412159 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 2216.0 | nM | 5.65 | Inhibition of FLT3 (unknown origin) by HTRF method | 28412159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28412159 | 10.1016/j.bmc.2017.04.003 | Unchecked | 5 |
| 28412159 | 10.1016/j.bmc.2017.04.003 | Hepatocyte growth factor receptor | 3 |
| 28412159 | 10.1016/j.bmc.2017.04.003 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 28412159 | 10.1016/j.bmc.2017.04.003 | Platelet-derived growth factor receptor alpha | 1 |
| 28412159 | 10.1016/j.bmc.2017.04.003 | Mast/stem cell growth factor receptor Kit | 1 |
| 28412159 | 10.1016/j.bmc.2017.04.003 | Vascular endothelial growth factor receptor 2 | 1 |
| 28412159 | 10.1016/j.bmc.2017.04.003 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 28412159 | 10.1016/j.bmc.2017.04.003 | Epidermal growth factor receptor | 1 |
| 28412159 | 10.1016/j.bmc.2017.04.003 | EBC-1 | 1 |
| 28412159 | 10.1016/j.bmc.2017.04.003 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine