Compound Detail
CHEMBL1822791
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CN(C)CCNC(=O)c1cc(Br)c2c(c1)NC(=O)/C2=N\NC(=O)Cc1ccc2c(c1)CCO2
Basic Information
| ChEMBL ID | CHEMBL1822791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJGIEJRFLALZSQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.4
MW (Da)
1.69
ALogP
6
HBA
3
HBD
112.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 9.0 | 8.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human c-MET | 21641696 |
| Hepatocyte growth factor receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human c-MET | 21641696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine