Compound Detail
CHEMBL4437901
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Nc1nccc(Oc2ccc(NC(=O)c3cc4ccccc4n(-c4ccc(F)c(Cl)c4)c3=O)cc2F)c1Cl
Basic Information
| ChEMBL ID | CHEMBL4437901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNBWJUFXPXURNP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
553.4
MW (Da)
6.60
ALogP
6
HBA
2
HBD
99.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| EBC-1 CHEMBL4296411 | IC50 | 6.42 | 6.42 | 379.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 2.1 | nM | 8.68 | Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 as subs... | 27524312 |
| EBC-1 | IC50 | = | 379.0 | nM | 6.42 | Antiproliferative activity against human EBC1 cells after 72 hrs by SRB assay | 27524312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27524312 | 10.1016/j.bmcl.2016.07.077 | Hepatocyte growth factor receptor | 1 |
| 27524312 | 10.1016/j.bmcl.2016.07.077 | EBC-1 | 1 |
Data from ChEMBL 36 via Core Engine