Compound Detail
CHEMBL1615181
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O=C(CCc1ccc2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc3c(=O)c2c1)NCc1ccccn1
Basic Information
| ChEMBL ID | CHEMBL1615181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCKOOTOQVCFRHS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
4.18
ALogP
7
HBA
2
HBD
101.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.55 | 7.39 | 28.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylate... | 21608528 |
| Hepatocyte growth factor receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of MET (unknown origin) | 37262349 |
| Hepatocyte growth factor receptor | IC50 | = | 85.0 | nM | 7.07 | Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECON... | 23379595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21608528 | 10.1021/jm200112k | Hepatocyte growth factor receptor | 1 |
| 23379595 | 10.1021/jm301619u | Hepatocyte growth factor receptor | 1 |
| 37262349 | 10.1021/acs.jmedchem.3c00028 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine