Compound Detail
CHEMBL5175646
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc([N+](=O)[O-])c5)ccc4=O)cc3c2)cn1
Basic Information
| ChEMBL ID | CHEMBL5175646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLULHEURWZPEMA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
4.01
ALogP
8
HBA
0
HBD
108.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.82 | 7.82 | 15.1 | 1 |
| Hs746T CHEMBL614579 | IC50 | 6.48 | 6.48 | 330.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 15.1 | nM | 7.82 | Inhibition of N-terminal His/SUMO tagged wild type human c-Met (1038 to 1346 res... | 36355693 |
| Hs746T | IC50 | = | 330.9 | nM | 6.48 | Antiproliferative activity against human Hs746T cells harboring MET alterations ... | 36355693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36355693 | 10.1021/acs.jmedchem.2c00981 | Hepatocyte growth factor receptor | 1 |
| 36355693 | 10.1021/acs.jmedchem.2c00981 | Hs746T | 1 |
Data from ChEMBL 36 via Core Engine