Compound Detail
CHEMBL461510
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
CC[C@@H](c1ccccc1)N1CN2[C@H]3[C@H](O)[C@@H]4O[C@@H]4/C(=N\OC[C@@H](O)COCc4ccco4)[C@H]3CCN2C1=O
Basic Information
| ChEMBL ID | CHEMBL461510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAIKHKCGCNESPG-CFHQRZGYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
2.12
ALogP
9
HBA
2
HBD
123.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against HCV replication in human HuH7 cells expressing Rep-Fe... | 17682098 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17682098 | 10.1128/aac.00233-07 | Hepatitis C virus | 1 |
| 17682098 | 10.1128/aac.00233-07 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine