Compound Detail
CHEMBL3797911
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Basic Information
| ChEMBL ID | CHEMBL3797911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYQKJQPOOQEANS-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
3.32
ALogP
8
HBA
0
HBD
87.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.92 | 9.82 | 0.1 | 2 |
| EBC-1 CHEMBL4296411 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| MKN-45 CHEMBL614354 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| TPR/MET fusion protein CHEMBL3038516 | IC50 | 7.1 | 7.1 | 79.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 0.12 | nM | 9.92 | Inhibition of c-Met (unknown origin) using poly(Glu-Tyr) at 4:1 ratio as substra... | 29157685 |
| Hepatocyte growth factor receptor | IC50 | = | 0.19 | nM | 9.72 | Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as su... | 27061987 |
| EBC-1 | IC50 | = | 12.0 | nM | 7.92 | Antiproliferative activity against human EBC-1 cells assessed as reduction in ce... | 29157685 |
| MKN-45 | IC50 | = | 21.0 | nM | 7.68 | Antiproliferative activity against human MKN-45 cells assessed as reduction in c... | 29157685 |
| TPR/MET fusion protein | IC50 | = | 79.5 | nM | 7.1 | Inhibition of TPR-MET in mouse NIH/3T3 cells assessed as inhibition of cell prol... | 27061987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27061987 | 10.1016/j.ejmech.2016.03.076 | TPR/MET fusion protein | 1 |
| 27061987 | 10.1016/j.ejmech.2016.03.076 | Hepatocyte growth factor receptor | 1 |
| 29157685 | 10.1016/j.ejmech.2017.08.044 | Hepatocyte growth factor receptor | 1 |
| 29157685 | 10.1016/j.ejmech.2017.08.044 | MKN-45 | 1 |
| 29157685 | 10.1016/j.ejmech.2017.08.044 | EBC-1 | 1 |
Data from ChEMBL 36 via Core Engine