Compound Detail
CHEMBL4866196
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CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4c(F)c(F)c(F)c(F)c4F)cc3)ncnc2c1
Basic Information
| ChEMBL ID | CHEMBL4866196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJODAFJCYVGVPU-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
503.4
MW (Da)
5.51
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.97
IC50 1 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.73 | 7.73 | 18.6 | 1 |
| BaF3 CHEMBL614524 | EC50 | 6.97 | 6.97 | 108.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 18.6 | nM | 7.73 | Inhibition of human recombinant GST-CSF1R (residues L534 to C972) expressed in S... | 34606263 |
| BaF3 | EC50 | = | 108.0 | nM | 6.97 | Antiproliferative activity against mouse BaF3 cells transfected with human ETV6-... | 34606263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34606263 | 10.1021/acs.jmedchem.1c01006 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | Aurora kinase A | 1 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | Aurora kinase B | 1 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | BaF3 | 1 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | NFS-60 | 1 |
Data from ChEMBL 36 via Core Engine