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Compound Detail

CHEMBL4649303

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Cc1ccc(NCc2cc(N3CCCCC3)ccc2C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4649303
Phase Preclinical
Structure Type MOL
InChI Key RLMDKSFWAQCGPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
4.47
ALogP
3
HBA
1
HBD
39.1
PSA (Ų)
0.91
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 C20H23N3
MW 305.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.69

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