Compound Detail
CHEMBL333397
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Basic Information
| ChEMBL ID | CHEMBL333397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJGQAKBTDGGRQX-SQFISAMPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
458.4
MW (Da)
3.45
ALogP
6
HBA
1
HBD
83.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 6400.0 | nM | 5.19 | Inhibitory concentration against hepatitis C virus NS3 protease | 15633995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669559 | 10.1021/jm990412m | Unchecked | 2 |
| 10669559 | 10.1021/jm990412m | Human rhinovirus A protease | 1 |
| 10669559 | 10.1021/jm990412m | Serine protease 1 | 1 |
| 10669559 | 10.1021/jm990412m | Plasminogen | 1 |
| 15633995 | 10.1021/jm0400101 | NS3 | 1 |
| 21138791 | 10.1016/j.bmc.2010.11.017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine