Compound Detail
CHEMBL4854971
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CC(C)OC(=O)[C@H](C)NP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccc(C[C@@H](C(=O)OC2CCCC2)N(CCCc2ccccc2)Cc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4854971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDBRNTRPILXKAH-IADIZRFSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
840.0
MW (Da)
7.50
ALogP
13
HBA
2
HBD
173.0
PSA (Ų)
0.05
QED
3
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis B virus CHEMBL613497 | EC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis B virus | EC50 | = | 1.2 | nM | 8.92 | Antiviral activity against HBV infected in human HepG2-hNTCP cells assessed as r... | 34713696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34713696 | 10.1021/acs.jmedchem.1c01444 | Hepatitis B virus | 1 |
| 34713696 | 10.1021/acs.jmedchem.1c01444 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine