Compound Detail
CHEMBL3402761
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N#Cc1cccc(-c2ccc(=O)n(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL3402761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWPIOCUTERMEOV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
3.00
ALogP
9
HBA
0
HBD
106.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.0 | 8.235 | 1.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 35.0 | mL.min-1.kg-1 | Mus musculus |
| F | 35.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of GST-His6-tagged recombinant human c-Met kinase domain (956 to 1390... | 25736998 |
| Hepatocyte growth factor receptor | IC50 | = | 34.0 | nM | 7.47 | Inhibition of c-Met kinase in human A549 cells assessed as inhibition of phospho... | 25736998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25736998 | 10.1016/j.bmcl.2015.02.002 | Hepatocyte growth factor receptor | 2 |
| 25736998 | 10.1016/j.bmcl.2015.02.002 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine