Compound Detail
CHEMBL5571790
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O=C(CN1C(=O)CCc2cc(-c3ccc4nnc(Cc5ccc6ncccc6c5)n4n3)ccc21)NCCO
Basic Information
| ChEMBL ID | CHEMBL5571790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEHMVHAWDJYHKQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
2.32
ALogP
8
HBA
2
HBD
125.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| MHCC97H CHEMBL4296470 | IC50 | 6.21 | 6.21 | 612.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 2.3 | nM | 8.64 | Inhibition of c-Met (unknown origin) preincubated for 10 mins followed by substr... | 38086189 |
| MHCC97H | IC50 | = | 612.0 | nM | 6.21 | 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