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Compound Detail

CHEMBL4073320

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C(=C1C2CC3CC(C2)CC1C3)C1CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4073320
Phase Preclinical
Structure Type MOL
InChI Key NEHITFGLBHIPJC-YBEGLDIGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

231.4
MW (Da)
3.37
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25N
MW 231.38
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
28418242 10.1021/acs.jmedchem.6b01758 Matrix protein 2 5
28418242 10.1021/acs.jmedchem.6b01758 Unchecked 2
28418242 10.1021/acs.jmedchem.6b01758 MDCK 1
28418242 10.1021/acs.jmedchem.6b01758 Influenza A virus 1

Data from ChEMBL 36 via Core Engine