Compound Detail
CHEMBL254117
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Basic Information
| ChEMBL ID | CHEMBL254117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJIRLEBFOIWONX-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
1.48
ALogP
3
HBA
1
HBD
50.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.7
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HUVEC | IC50 | = | 2000.0 | nM | 5.7 | Growth inhibition of HUVEC cells by MTT assay | 18166456 |
| MS-1 | IC50 | = | 2000.0 | nM | 5.7 | Growth inhibition of mouse MS1 cells by MTT assay | 18166456 |
| HUVEC | IC50 | = | 2000.0 | nM | 5.7 | Growth inhibition of HUVEC cells by MTT assay | 18504133 |
| ADMET | IC50 | = | 2000.0 | nM | 5.7 | Growth inhibition of mouse MS1 cells by MTT assay | 18504133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18504133 | 10.1016/j.bmc.2008.05.012 | ADMET | 2 |
| 18504133 | 10.1016/j.bmc.2008.05.012 | Unchecked | 2 |
| 18166456 | 10.1016/j.bmcl.2007.12.034 | Unchecked | 1 |
| 18166456 | 10.1016/j.bmcl.2007.12.034 | Alpha-glucosidase | 1 |
| 18166456 | 10.1016/j.bmcl.2007.12.034 | Methionine aminopeptidase 2 | 1 |
| 18166456 | 10.1016/j.bmcl.2007.12.034 | HUVEC | 1 |
| 18166456 | 10.1016/j.bmcl.2007.12.034 | MS-1 | 1 |
| 18504133 | 10.1016/j.bmc.2008.05.012 | HUVEC | 1 |
| 18504133 | 10.1016/j.bmc.2008.05.012 | Methionine aminopeptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine