Compound Detail
CHEMBL4551781
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Basic Information
| ChEMBL ID | CHEMBL4551781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXWUXXWVCWEUTA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.52
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.8
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| NCI-H1993 CHEMBL1075527 | IC50 | 7.5 | 7.5 | 31.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | EC50 | = | 1.6 | nM | 8.8 | Inhibition of c-Met kinase (unknown origin) assessed as decrease in phosphorylat... | 27448775 |
| NCI-H1993 | IC50 | = | 31.3 | nM | 7.5 | Cytotoxicity against human NCI-H1993 cells assessed as growth inhibition after 7... | 27448775 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27448775 | 10.1016/j.bmc.2016.07.019 | ADMET | 5 |
| 27448775 | 10.1016/j.bmc.2016.07.019 | Cytochrome P450 3A4 | 2 |
| 27448775 | 10.1016/j.bmc.2016.07.019 | Cytochrome P450 2D6 | 2 |
| 27448775 | 10.1016/j.bmc.2016.07.019 | Cytochrome P450 2C9 | 2 |
| 27448775 | 10.1016/j.bmc.2016.07.019 | Cytochrome P450 1A2 | 2 |
| 27448775 | 10.1016/j.bmc.2016.07.019 | Cytochrome P450 2C19 | 2 |
| 27448775 | 10.1016/j.bmc.2016.07.019 | Hepatocyte growth factor receptor | 1 |
| 27448775 | 10.1016/j.bmc.2016.07.019 | NCI-H1993 | 1 |
Data from ChEMBL 36 via Core Engine