Compound Detail
CHEMBL4784003
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Basic Information
| ChEMBL ID | CHEMBL4784003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHRYQJYXGKJMBI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
-0.33
ALogP
5
HBA
3
HBD
121.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.37 | 7.37 | 42.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 42.6 | nM | 7.37 | Inhibition of human recombinant S100P/RAGE interaction incubated for 1 hr and me... | 32707527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32707527 | 10.1016/j.ejmech.2020.112621 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine