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Compound Detail

CHEMBL1893630

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O=C(NCCCNC(=O)c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1893630
Phase Preclinical
Structure Type MOL
InChI Key MLGLVNOARCEYHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.24
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.80
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 C17H18N2O2
MW 282.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.62

Literature References

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

Data from ChEMBL 36 via Core Engine