Compound Detail
CHEMBL4648729
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Cc1cc(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCN(C)CC3)c2)on1
Basic Information
| ChEMBL ID | CHEMBL4648729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNKRKFBRFHMPBO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
577.7
MW (Da)
6.30
ALogP
8
HBA
2
HBD
99.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.26 | 5.26 | 5520.0 | 1 |
| PCSK9/LDLR CHEMBL4523996 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of recombinant human N-terminal GST-tagged c-Kit (544 to end residues... | 32051094 |
| Platelet-derived growth factor receptor beta | IC50 | = | 5520.0 | nM | 5.26 | Inhibition of recombinant human N-terminal GST-tagged PDGFRbeta cytoplasmic doma... | 32051094 |
| PCSK9/LDLR | IC50 | = | 10700.0 | nM | 4.97 | Inhibition of recombinant human His-tagged PCSK9 interaction with recombinant LD... | 32051094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32051094 | 10.1016/j.bmc.2020.115344 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 32051094 | 10.1016/j.bmc.2020.115344 | Platelet-derived growth factor receptor beta | 1 |
| 32051094 | 10.1016/j.bmc.2020.115344 | Tyrosine-protein kinase ABL1 | 1 |
| 32051094 | 10.1016/j.bmc.2020.115344 | Mast/stem cell growth factor receptor Kit | 1 |
| 32051094 | 10.1016/j.bmc.2020.115344 | PCSK9/LDLR | 1 |
Data from ChEMBL 36 via Core Engine