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Compound Detail

CHEMBL5572044

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

Basic Information

ChEMBL ID CHEMBL5572044
Phase Preclinical
Structure Type MOL
InChI Key MDKOEBXVBMLLND-YSVRNHBLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.4
MW (Da)
1.94
ALogP
10
HBA
2
HBD
143.5
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N6O5P
MW 448.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.32

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