Compound Detail
CHEMBL4445680
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Basic Information
| ChEMBL ID | CHEMBL4445680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWDKYNCDSWGPBJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.2
MW (Da)
3.52
ALogP
5
HBA
1
HBD
106.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein S100-A4 CHEMBL2362976 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein S100-A4 | EC50 | = | 17000.0 | nM | 4.77 | Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myo... | - |
Data from ChEMBL 36 via Core Engine