Compound Detail
CHEMBL1093015
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CC1(NC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC2CCC2)C(=O)C(N)=O)C3(C)C)C(C)(C)C)CCCCC1
Basic Information
| ChEMBL ID | CHEMBL1093015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBJUGFIZXDLNCK-GRNGOJQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
559.8
MW (Da)
2.64
ALogP
5
HBA
4
HBD
150.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 8.0 | nM | 8.1 | Inhibition of HCV NS4A tagged recombinant single chain NS3 protease after 15 min... | 20303756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20303756 | 10.1016/j.bmcl.2010.02.063 | Unchecked | 2 |
| 20303756 | 10.1016/j.bmcl.2010.02.063 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine