Compound Detail
CHEMBL3581775
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CNc1ccn([C@@H]2O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]2F)c(=O)n1
Basic Information
| ChEMBL ID | CHEMBL3581775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNFAOXYDFILFMO-QHOPCYEYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
300.2
MW (Da)
-0.49
ALogP
8
HBA
3
HBD
145.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 6700.0 | nM | 5.17 | Antiviral activity against VSVG pseudotyped HIV1 infected in HEK293 cells preinc... | 32678592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25905540 | 10.1021/jm5012963 | Hepatitis B virus | 1 |
| 25905540 | 10.1021/jm5012963 | HepG2 2.2.15 | 1 |
| 32678592 | 10.1021/acs.jmedchem.0c00940 | Human immunodeficiency virus 1 | 1 |
| 32678592 | 10.1021/acs.jmedchem.0c00940 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine