Compound Detail
CHEMBL4640401
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
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C(=O)CCCc4cn(CCOCCOCCOCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12
Basic Information
| ChEMBL ID | CHEMBL4640401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVYYVGZMWJYFIE-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
1087.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.12
EC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 7.88 | 7.88 | 13.1 | 1 |
| Protein cereblon/BCR/ABL CHEMBL4296137 | EC50 | 7.54 | 7.54 | 28.5 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 7.36 | 7.36 | 44.2 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.36 | 6.36 | 441.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.59 | 5.59 | 2575.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 7.5 | nM | 8.12 | Antiproliferative activity against human K562 cells incubated for 3 days by CCK8... | 32657579 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 13.1 | nM | 7.88 | Inhibition of human ABL T315I mutant using EAIYAAPFAKKK substrate and [gamma-33P... | 32657579 |
| Protein cereblon/BCR/ABL | EC50 | = | 28.5 | nM | 7.54 | Protac activity at Cereblon/BCR/ABL T315I mutant (unknown origin) expressed in m... | 32657579 |
| Tyrosine-protein kinase Lyn | IC50 | = | 44.2 | nM | 7.36 | Inhibition of human LYN using poly(Glu,Tyr)4:1 substrate and [gamma-33P]-ATP inc... | 32657579 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 441.0 | nM | 6.36 | Inhibition of human VEGFR2 using MBP substrate and [gamma-33P]-ATP incubated for... | 32657579 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2575.0 | nM | 5.59 | Inhibition of human c-SRC using poly(Glu,Tyr)4:1 substrate and [gamma-33P]-ATP i... | 32657579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Protein cereblon/BCR/ABL | 7 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | HUVEC | 2 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Tyrosine-protein kinase ABL1 | 2 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | K562 | 1 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | BaF3 | 1 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | H9c2 | 1 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Tyrosine-protein kinase Lyn | 1 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Vascular endothelial growth factor receptor 2 | 1 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Protein cereblon/Tyrosine-protein kinase receptor FLT3 | 1 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Protein cereblon/Tyrosine-protein kinase SRC | 1 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Protein cereblon/Stem cell growth factor receptor | 1 |
| 32657579 | 10.1021/acs.jmedchem.0c00967 | Protein cereblon/Platelet-derived growth factor receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine