Compound Detail
CHEMBL6028045
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Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nn(CCCCCCCC(=O)NO)c4ncnc(N)c34)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL6028045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDNAJFVDTSUEGN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
5.01
ALogP
8
HBA
5
HBD
160.1
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 9.33 | 9.33 | 0.5 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 0.47 | nM | 9.33 | Fluorescence Detection: Enzymatic activity was tested in 96-well or 384-well fla... | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 0.5 | nM | 9.3 | Enzyme-Linked Immunosorbent Assay (ELISA): Inhibition of Compound IIa, IIb, IIc ... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.2 | nM | 8.66 | Enzyme-Linked Immunosorbent Assay (ELISA): Inhibition of Compound IIa, IIb, IIc ... | - |
Data from ChEMBL 36 via Core Engine