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Compound Detail

CHEMBL3763416

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O=C1CCC[C@@H]2[C@@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763416
Phase Preclinical
Structure Type MOL
InChI Key JYIJIIVLEOETIQ-ZOBORPQBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

248.4
MW (Da)
1.87
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 C15H24N2O
MW 248.37
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.93

Literature References

PubMed DOI Target Context # Activities
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

Data from ChEMBL 36 via Core Engine