Compound Detail
CHEMBL245436
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O=C(O)/C=C/COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4nc(-c5ccc(F)cc5)c(-c5ccc(F)cc5)nc4c3)C(=O)O)c2c1
Basic Information
| ChEMBL ID | CHEMBL245436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXZZXSUXBPDQPB-BETCCXDHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
648.6
MW (Da)
6.17
ALogP
6
HBA
4
HBD
154.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of HCV NS5B RdRp | 17258458 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17258458 | 10.1016/j.bmcl.2006.12.103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine