Compound Detail
CHEMBL297341
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@@H]1[C@H](C)[C@@H]1C(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL297341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOZDCCIXXAQPLF-WHKCWQGWSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
2.67
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Capsid scaffolding protein CHEMBL3771 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 9.8 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Capsid scaffolding protein | IC50 | = | 72000.0 | nM | 4.14 | Tested in vitro for inhibitory activity against Protease | 12067545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12067545 | 10.1016/s0960-894x(02)00294-9 | ADMET | 1 |
| 12067545 | 10.1016/s0960-894x(02)00294-9 | Capsid scaffolding protein | 1 |
Data from ChEMBL 36 via Core Engine