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Compound Detail

CHEMBL4100170

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C1CC(CC2C3CC4CC(C3)CC2C4)CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4100170
Phase Preclinical
Structure Type MOL
InChI Key HHSYJAHAWRAHAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

233.4
MW (Da)
3.45
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H27N
MW 233.40
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.28

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