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Compound Detail

CHEMBL3086916

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O=C1N(Cc2ccccc2)CCCN1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3086916
Phase Preclinical
Structure Type MOL
InChI Key AREPGFIYDQGCAH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.51
ALogP
1
HBA
0
HBD
23.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O
MW 280.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
24177358 10.1016/j.ejmech.2013.09.055 Hepatitis C virus 2
24177358 10.1016/j.ejmech.2013.09.055 Huh-7 1
27537923 10.1016/j.ejmech.2016.07.053 Myeloperoxidase 1
27537923 10.1016/j.ejmech.2016.07.053 Unchecked 1

Data from ChEMBL 36 via Core Engine