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Compound Detail

CHEMBL3233040

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CN1c2c(ccc(Cl)c2Cl)N(CCOc2ccc(Cl)cc2)C1NC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233040
Phase Preclinical
Structure Type MOL
InChI Key INFQOEHEOOKUCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.7
MW (Da)
4.34
ALogP
5
HBA
1
HBD
51.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15Cl3N4O
MW 397.69
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
24675178 10.1016/j.ejmech.2014.03.030 Hepatitis C virus 1
24675178 10.1016/j.ejmech.2014.03.030 ADMET 1

Data from ChEMBL 36 via Core Engine