Compound Detail
CHEMBL3417285
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Nc1ccn([C@@H]2O[C@](CCl)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2F)c(=O)n1
Basic Information
| ChEMBL ID | CHEMBL3417285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMNKEHCKAWMCAU-QHOPCYEYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
-0.63
ALogP
12
HBA
6
HBD
250.2
PSA (Ų)
0.17
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of Respiratory syncytial virus RNA polymerase in crude RSV RNP comple... | 25667954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25667954 | 10.1021/jm5017279 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine