Compound Detail
CHEMBL5190062
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
O=C1NCCCCCn2cc(cn2)-c2cnc3ccc(cc3c2)CCn2nc(ccc2=O)-c2ccc1c(C(F)(F)F)c2
Basic Information
| ChEMBL ID | CHEMBL5190062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSAATDNGUQMRLJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
572.6
MW (Da)
5.50
ALogP
7
HBA
1
HBD
94.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Hs746T CHEMBL614579 | IC50 | 6.79 | 6.79 | 163.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 3.3 | nM | 8.48 | Inhibition of N-terminal His/SUMO tagged wild type human c-Met (1038 to 1346 res... | 36355693 |
| Hs746T | IC50 | = | 163.3 | nM | 6.79 | 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 |
| 36355693 | 10.1021/acs.jmedchem.2c00981 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine