Compound Detail
CHEMBL567305
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O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cnn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc12
Basic Information
| ChEMBL ID | CHEMBL567305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRXKLVPUFKAKLK-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
5.49
ALogP
5
HBA
3
HBD
112.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 450.0 | nM | 6.35 | 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