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Compound Detail

CHEMBL4645789

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Cc1ccc(NCc2cc(N3CCOCC3)ccc2C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4645789
Phase Preclinical
Structure Type MOL
InChI Key KQJQNFWFZBRJPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.32
ALogP
4
HBA
1
HBD
48.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O
MW 307.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.90

Literature References

PubMed DOI Target Context # Activities
32378892 10.1021/acs.jmedchem.0c00232 Hepatitis C virus 1
32378892 10.1021/acs.jmedchem.0c00232 Unchecked 1

Data from ChEMBL 36 via Core Engine