Compound Detail
CHEMBL1802904
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CCN1CCC(n2cc(-c3cnc4ccc5ccc(NS(=O)(=O)N(C)C)cc5c(=O)c4c3)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL1802904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCVDFZKBPJWGKX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.49
ALogP
7
HBA
1
HBD
100.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.7 | 8.415 | 0.2 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 0.2 | nM | 9.7 | Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylate... | 21608528 |
| NON-PROTEIN TARGET | IC50 | = | 55.0 | nM | 7.26 | Antiproliferative activity against human GTL16 cells after 72 hrs | 21608528 |
| Hepatocyte growth factor receptor | IC50 | = | 74.0 | nM | 7.13 | Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylat... | 21608528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21608528 | 10.1021/jm200112k | Hepatocyte growth factor receptor | 2 |
| 21608528 | 10.1021/jm200112k | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine