Compound Detail
CHEMBL4467388
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Basic Information
| ChEMBL ID | CHEMBL4467388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRWXKXGXIQEGQB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
1.55
ALogP
3
HBA
7
HBD
152.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypsin CHEMBL2095204 | IC50 | 4.62 | 4.62 | 23900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypsin | IC50 | = | 23900.0 | nM | 4.62 | Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate pr... | 31103899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31103899 | 10.1016/j.ejmech.2019.05.025 | Genome polyprotein | 2 |
| 31103899 | 10.1016/j.ejmech.2019.05.025 | Trypsin | 2 |
| 31103899 | 10.1016/j.ejmech.2019.05.025 | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine