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Compound Detail

CHEMBL309228

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O=C(Cc1ccc(O)c(O)c1)NC1CCN(Cc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309228
Phase Preclinical
Structure Type MOL
InChI Key TUTIDSUIVVDLTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.42
ALogP
4
HBA
3
HBD
72.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O3
MW 340.42
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
9632369 10.1021/jm980032l Sigma non-opioid intracellular receptor 1 2
9632369 10.1021/jm980032l Sigma 2 receptor 1

Data from ChEMBL 36 via Core Engine