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Compound Detail

CHEMBL3235432

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O=C1CCc2ccc(OCCN3CCOCC3)cc2N1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3235432
Phase Preclinical
Structure Type MOL
InChI Key VDNZKXAGUMZERR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
2.88
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O3
MW 366.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
24735647 10.1016/j.ejmech.2014.04.019 Sigma non-opioid intracellular receptor 1 1
24735647 10.1016/j.ejmech.2014.04.019 Unchecked 1

Data from ChEMBL 36 via Core Engine