Compound Detail
CHEMBL4075481
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Basic Information
| ChEMBL ID | CHEMBL4075481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDOXUACPTZGQSI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.1
MW (Da)
3.16
ALogP
4
HBA
1
HBD
85.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDCK-II CHEMBL4296466 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDCK-II | EC50 | = | 3000.0 | nM | 5.52 | Antimigratory activity against MDCK2 cells assessed as inhibition of HGF-induced... | 28780159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28780159 | 10.1016/j.bmcl.2017.07.063 | MDCK-II | 2 |
| 28780159 | 10.1016/j.bmcl.2017.07.063 | MDA-MB-468 | 1 |
| 28780159 | 10.1016/j.bmcl.2017.07.063 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine