Compound Detail
CHEMBL3798590
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CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4nnc(Cc5ccc6ncccc6c5)n4n3)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL3798590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNGFALOUSKCJJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.09
ALogP
10
HBA
0
HBD
116.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 5.3 | nM | 8.28 | Inhibition of recombinant c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as su... | 27061987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27061987 | 10.1016/j.ejmech.2016.03.076 | TPR/MET fusion protein | 2 |
| 27061987 | 10.1016/j.ejmech.2016.03.076 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine