Compound Detail
CHEMBL570629
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NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
Basic Information
| ChEMBL ID | CHEMBL570629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRPSRYOSUILYEE-XIFFEERXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
612.7
MW (Da)
6.33
ALogP
6
HBA
3
HBD
127.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 90.0 | nM | 7.05 | Inhibition of HCV recombinant NS5B Cdelta21 RdRp expressed in Escherichia coli a... | 19819138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19819138 | 10.1016/j.bmcl.2009.09.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine