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Compound Detail

CHEMBL4090878

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CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@@](F)(Cl)[C@@H]1O)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4090878
Phase Preclinical
Structure Type MOL
InChI Key YPNNXXPKKGJATB-DDMNCBOESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

571.9
MW (Da)
3.31
ALogP
11
HBA
3
HBD
160.1
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28ClFN5O7P
MW 571.93
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
28595015 10.1021/acs.jmedchem.7b00067 Hepatitis C virus 2
28595015 10.1021/acs.jmedchem.7b00067 Huh-7 1
28595015 10.1021/acs.jmedchem.7b00067 PBMC 1
28595015 10.1021/acs.jmedchem.7b00067 CCRF-CEM 1
28595015 10.1021/acs.jmedchem.7b00067 Vero 1

Data from ChEMBL 36 via Core Engine