Compound Detail
CHEMBL4643303
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
COC(=O)N[C@H](C(=O)N1C[C@H](C)C[C@@H]1c1nc2sc(-c3ccc(-c4ccc(-c5c[nH]c([C@@H]6[C@H](C)CCN6C(=O)[C@H](NC(=O)OC)C(C)C)n5)cc4)cc3)cc2[nH]1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4643303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCKZSPQITDNJLX-WOWARFGQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
823.0
MW (Da)
7.93
ALogP
9
HBA
4
HBD
174.6
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 10.77 | 10.77 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 0.017 | nM | 10.77 | Antiviral activity against HCV genotype 1a | 30639895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Hepatitis C virus | 2 |
Data from ChEMBL 36 via Core Engine