Compound Detail
CHEMBL3759495
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CN1CCC(n2cc(-c3cnc(Nc4cccc(Cn5nc(-c6cnn(C)c6)ccc5=O)c4)nc3)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL3759495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKYVULSSHXSXRL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
3.36
ALogP
11
HBA
1
HBD
111.6
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 4.3 | nM | 8.37 | Inhibition of recombinant c-Met (unknown origin) using poly (Glu,Tyr)4:1 as subs... | 26698536 |
| NON-PROTEIN TARGET | IC50 | = | 65.0 | nM | 7.19 | Antiproliferative activity against human EBC1 cells after 72 hrs by SRB assay | 26698536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26698536 | 10.1016/j.ejmech.2015.11.042 | Hepatocyte growth factor receptor | 1 |
| 26698536 | 10.1016/j.ejmech.2015.11.042 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine