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Compound Detail

CHEMBL4060204

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Oc1c(CN2CCOCC2)cc(CN2CCOCC2)cc1CN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060204
Phase Preclinical
Structure Type MOL
InChI Key JGTWRXHFXRFYTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
0.89
ALogP
7
HBA
1
HBD
57.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33N3O4
MW 391.51
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
28089348 10.1016/j.bmcl.2016.12.087 Hepatitis C virus 2
28089348 10.1016/j.bmcl.2016.12.087 Huh-5-2 1

Data from ChEMBL 36 via Core Engine