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Compound Detail

CHEMBL1789771

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NC12C3CCC4C3C3C(CCC31)C42

Basic Information

ChEMBL ID CHEMBL1789771
Phase Preclinical
Structure Type MOL
InChI Key ABYQHYZEUZMTKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

175.3
MW (Da)
1.63
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N
MW 175.28
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.80

Literature References

PubMed DOI Target Context # Activities
24237039 10.1021/jm401340p Matrix protein 2 4
24237039 10.1021/jm401340p Unchecked 2
24237039 10.1021/jm401340p Mammalian orthoreovirus 1 1
24237039 10.1021/jm401340p Coxsackievirus B4 1
24237039 10.1021/jm401340p Punta Toro virus 1
24237039 10.1021/jm401340p Sindbis virus 1
24237039 10.1021/jm401340p Vesicular stomatitis virus 1
24237039 10.1021/jm401340p Respiratory syncytial virus 1
24237039 10.1021/jm401340p Human respirovirus 3 1
24237039 10.1021/jm401340p Feline coronavirus 1
24237039 10.1021/jm401340p Vaccinia virus 1
24237039 10.1021/jm401340p Human alphaherpesvirus 2 1
24237039 10.1021/jm401340p Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine