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Compound Detail

CHEMBL5575588

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CC(C)OC(=O)CN[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5575588
Phase Preclinical
Structure Type MOL
InChI Key VUJHZOHASKCDQV-KXSVPLAASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
2.72
ALogP
10
HBA
2
HBD
143.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N6O5P
MW 476.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.40

Activity Summary

EC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis B virus
CHEMBL613497
 EC50 6.54 6.54 290.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis B virus EC50 = 290.1 nM 6.54 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