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Compound Detail

CHEMBL3233524

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CN1CCN(Cc2ccccc2)[C@@H](CCO)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233524
Phase Preclinical
Structure Type MOL
InChI Key NKTZLMJVRYUPBS-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
1.18
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22N2O
MW 234.34
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
24617836 10.1021/jm401707t Sigma non-opioid intracellular receptor 1 3
24617836 10.1021/jm401707t Unchecked 2

Data from ChEMBL 36 via Core Engine