Compound Detail
CHEMBL2408214
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CCOC(=O)[C@H](C)NP(=O)(OC[C@@H]1OC[C@H](n2cnc3c(NC4CC4)ncnc32)O1)Oc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL2408214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICIWNNBROJUENQ-DSVWKINHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
532.5
MW (Da)
3.02
ALogP
12
HBA
2
HBD
147.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.07 | 7.07 | 86.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 86.0 | nM | 7.07 | Antiviral activity against Human immunodeficiency virus 1 LAI infected in PHA-st... | 24015326 |
| Hepatitis B virus | EC50 | = | 800.0 | nM | 6.1 | Antiviral activity against Hepatitis B virus infected in human HepAD38 cells aft... | 24015326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24015326 | 10.1021/ml4001497 | PBMC | 3 |
| 24015326 | 10.1021/ml4001497 | CCRF-CEM | 1 |
| 24015326 | 10.1021/ml4001497 | Huh-7 | 1 |
| 24015326 | 10.1021/ml4001497 | Vero | 1 |
| 24015326 | 10.1021/ml4001497 | HepG2 | 1 |
| 24015326 | 10.1021/ml4001497 | Hepatitis B virus | 1 |
| 24015326 | 10.1021/ml4001497 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine