Compound Detail
CHEMBL2442119
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CCN(CC)CCNC(=O)c1ccc(-c2cnc(N)c(SC(C)c3c(Cl)ccc(F)c3Cl)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL2442119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSAAQWQFZSMFEC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.5
MW (Da)
6.70
ALogP
5
HBA
2
HBD
71.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.0 | 7.0 | 101.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 101.0 | nM | 7.0 | Inhibition of c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate afte... | 23993328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23993328 | 10.1016/j.bmc.2013.07.032 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine