Compound Detail
CHEMBL5574409
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C[C@H](Cn1cnc2c(N)ncnc21)OC[P@@](=O)(NCC(=O)Oc1ccccc1)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5574409 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTDGQJUGYBKNEP-QCNWMPOZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
3.38
ALogP
10
HBA
2
HBD
143.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 6.07 | 6.07 | 847.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 847.6 | nM | 6.07 | Antiviral activity against Hepatitis B virus infected in human HepG2.2.15 cells ... | 38246114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38246114 | 10.1016/j.bmc.2024.117607 | Hepatitis B virus | 1 |
| 38246114 | 10.1016/j.bmc.2024.117607 | HepG2 2.2.15 | 1 |
Data from ChEMBL 36 via Core Engine