Compound Detail
CHEMBL4578460
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Cc1cc(C)cc(-n2c(=O)c(C(=O)Nc3ccc(Oc4ccnc(N)c4Cl)c(F)c3)cc3ccccc32)c1
Basic Information
| ChEMBL ID | CHEMBL4578460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFEDMZOLLSFUBA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.0
MW (Da)
6.42
ALogP
6
HBA
2
HBD
99.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| EBC-1 CHEMBL4296411 | IC50 | 6.44 | 6.44 | 363.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 0.7 | nM | 9.15 | Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 as subs... | 27524312 |
| EBC-1 | IC50 | = | 363.4 | nM | 6.44 | 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 | EBC-1 | 1 |
| 27524312 | 10.1016/j.bmcl.2016.07.077 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine