Compound Detail
CHEMBL5592986
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CC(C)N1CCN(C(=O)CN2C(=O)CCc3cc(-c4ccc5nnc(Cc6ccc7ncccc7c6)n5n4)ccc32)CC1
Basic Information
| ChEMBL ID | CHEMBL5592986 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIARNNBXTHQULO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
574.7
MW (Da)
3.76
ALogP
8
HBA
0
HBD
99.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.88 | 8.88 | 1.3 | 1 |
| MHCC97H CHEMBL4296470 | IC50 | 7.93 | 7.93 | 11.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.32 | nM | 8.88 | Inhibition of c-Met (unknown origin) preincubated for 10 mins followed by substr... | 38086189 |
| MHCC97H | IC50 | = | 11.63 | nM | 7.93 | Antiproliferative activity against human MHCC97H cells assessed as reduction in ... | 38086189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38086189 | 10.1016/j.ejmech.2023.116025 | Hepatocyte growth factor receptor | 1 |
| 38086189 | 10.1016/j.ejmech.2023.116025 | MHCC97H | 1 |
Data from ChEMBL 36 via Core Engine