Compound Detail
CHEMBL5951978
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CC(C)N1CCOc2c(F)cc(-c3nc(Nc4ccc5c(c4)CN(C(=O)CN(C)C)CC5)ncc3F)cc21
Basic Information
| ChEMBL ID | CHEMBL5951978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYTDCXHHGYDWLU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
4.22
ALogP
7
HBA
1
HBD
73.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 4.88 | 4.88 | 13136.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.5 | nM | 8.82 | LanthaScreen Eu Kinase Binding Assay: FMS: IC50 values of compounds against FMS ... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 3.0 | nM | 8.52 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Cyclin-dependent kinase 4 | IC50 | = | 4.5 | nM | 8.35 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 13136.0 | nM | 4.88 | Activity Assay: PI3Kδ: Briefly, this assay was conducted in buffer (Tris-HCl 40 ... | - |
Data from ChEMBL 36 via Core Engine