Compound Detail
CHEMBL3703965
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Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC(N7CCCCC7)CC6)cc5c4)n3c2)cn1
Basic Information
| ChEMBL ID | CHEMBL3703965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQLJOSBZSDCEPQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
5.42
ALogP
9
HBA
0
HBD
67.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | LanthaScreen Assay: The kinase assay is based on the LanthaScreen technology. La... | - |
| Phosphodiesterase 3 | IC50 | = | 30000.0 | nM | 4.52 | Scintillation Proximity Assay (SPA): The kinase assay is based on the LanthaScre... | - |
Data from ChEMBL 36 via Core Engine