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Compound Detail

CHEMBL3765820

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O=C1CCCC2=C3CCCN4CCC[C@@H](CN12)[C@@H]34
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765820
Phase Preclinical
Structure Type MOL
InChI Key CDDHEMJXKBELBO-NHYWBVRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.14
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22N2O
MW 246.35
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.50

Literature References

PubMed DOI Target Context # Activities
30298740 10.1021/acs.jnatprod.8b00576 Hepatitis B virus 2
26865176 10.1016/j.bmcl.2015.09.010 KB 1
26865176 10.1016/j.bmcl.2015.09.010 NON-PROTEIN TARGET 1
26865176 10.1016/j.bmcl.2015.09.010 MDA-MB-231 1
26865176 10.1016/j.bmcl.2015.09.010 MCF7 1
26865176 10.1016/j.bmcl.2015.09.010 A549 1
30298740 10.1021/acs.jnatprod.8b00576 HepG2 2.2.15 1

Data from ChEMBL 36 via Core Engine