Compound Detail
CHEMBL4092149
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Basic Information
| ChEMBL ID | CHEMBL4092149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVHDOCPXBGEYRE-XVNBXDOJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.70
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.45 | 4.45 | 35200.0 | 1 |
| Arginase-1 CHEMBL1075060 | IC50 | 3.52 | 3.52 | 302000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 35200.0 | nM | 4.45 | Inhibition of alpha-glucosidase (unknown origin) using PNP glycoside as substrat... | 28242551 |
| Arginase-1 | IC50 | = | 302000.0 | nM | 3.52 | Inhibition of bovine liver arginase 1 using L-arginine as substrate incubated fo... | 38784454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28242551 | 10.1016/j.ejmech.2017.02.007 | Unchecked | 1 |
| 38784454 | 10.1039/d3md00713h | Arginase-1 | 1 |
Data from ChEMBL 36 via Core Engine