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Compound Detail

CHEMBL4059787

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OC1(C2CCNCC2)C2CC3CC(C2)CC1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4059787
Phase Preclinical
Structure Type MOL
InChI Key MZHHATBECUAGMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

235.4
MW (Da)
2.17
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.73
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 C15H25NO
MW 235.37
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.95

Literature References

PubMed DOI Target Context # Activities
28418242 10.1021/acs.jmedchem.6b01758 Matrix protein 2 7
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