Compound Detail
CHEMBL5273665
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COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5ccccc5C(F)(F)F)c5ccccc5c4=O)cc3F)ccnc2cc1OCCCN1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL5273665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLFDSVDAZGNCKW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
740.8
MW (Da)
9.00
ALogP
8
HBA
1
HBD
94.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.87 | 8.87 | 1.4 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.35 | nM | 8.87 | Inhibition of c-Met (unknown origin) kinase activity using poly(Glu-Tyr) at 4:1 ... | 29157685 |
| MKN-45 | IC50 | = | 10.0 | nM | 8.0 | Antiproliferative activity against human MKN-45 cells assessed as reduction in c... | 29157685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29157685 | 10.1016/j.ejmech.2017.08.044 | MKN-45 | 1 |
| 29157685 | 10.1016/j.ejmech.2017.08.044 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine