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Compound Detail

CHEMBL5087903

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CN1CCCN(c2ccc(C#N)c(CN3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5087903
Phase Preclinical
Structure Type MOL
InChI Key AFNXWQINFQFMDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.0
MW (Da)
3.31
ALogP
5
HBA
0
HBD
53.8
PSA (Ų)
0.71
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 C25H30ClN5O
MW 452.00
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
35050619 10.1021/acs.jmedchem.1c01637 Huh-7.5 1
35050619 10.1021/acs.jmedchem.1c01637 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine