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Compound Detail

CHEMBL4085484

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CC(C)OC(=O)[C@@H](N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(Cl)[C@@H]1O)Oc1ccccc1)C(C)C

Basic Information

ChEMBL ID CHEMBL4085484
Phase Preclinical
Structure Type MOL
InChI Key ZQONMCQXSJQBQZ-ZLXNNYSASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

574.0
MW (Da)
2.56
ALogP
10
HBA
3
HBD
158.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33ClN3O9P
MW 573.97
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
28835346 10.1016/j.bmcl.2017.08.029 Liver 1
28835346 10.1016/j.bmcl.2017.08.029 Hepatitis C virus 1
28835346 10.1016/j.bmcl.2017.08.029 Unchecked 1
28835346 10.1016/j.bmcl.2017.08.029 Plasma 1

Data from ChEMBL 36 via Core Engine