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Compound Detail

CHEMBL4078109

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O=C(NCCCN1CCN(CCCNC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4078109
Phase Preclinical
Structure Type MOL
InChI Key HDEDUHNBJRONKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

477.4
MW (Da)
3.55
ALogP
4
HBA
2
HBD
64.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30Cl2N4O2
MW 477.44
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
27810598 10.1016/j.ejmech.2016.10.043 Hepatitis C virus 2
27810598 10.1016/j.ejmech.2016.10.043 Huh-5-2 1
27810598 10.1016/j.ejmech.2016.10.043 Unchecked 1

Data from ChEMBL 36 via Core Engine