Compound Detail
CHEMBL4215923
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)N1CCC[C@H]1c1nc2ccc([C@H]3CC[C@H](c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)N3c3cc(F)c(N4CCC(c5ccccc5)CC4)c(F)c3)cc2[nH]1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL4215923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZNYKPGIRDWPMC-JIJYKOJWSA-N |
2
Targets
10
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1027.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 10 meas. best 10.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5A CHEMBL3307224 | EC50 | 10.12 | 10.12 | 0.1 | 1 |
| Genome polyprotein CHEMBL5536 | EC50 | 9.74 | 9.74 | 0.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6830.0 | ng.hr.mL-1 | Mus musculus |
| CL | 25.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 53.33 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 5A | EC50 | = | 0.076 | nM | 10.12 | Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decreas... | 29653491 |
| Genome polyprotein | EC50 | = | 0.183 | nM | 9.74 | Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrea... | 29653491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29653491 | 10.1021/acs.jmedchem.8b00082 | Nonstructural protein 5A | 10 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | Genome polyprotein | 8 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | No relevant target | 2 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | ADMET | 2 |
| 29653491 | 10.1021/acs.jmedchem.8b00082 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine