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Compound Detail

CHEMBL2170315

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NCC[C@H]1CCO[C@@H](c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170315
Phase Preclinical
Structure Type MOL
InChI Key LJKUWGLQYXGUBX-NWDGAFQWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

207.3
MW (Da)
1.84
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17NO2
MW 207.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.64

Literature References

PubMed DOI Target Context # Activities
23013229 10.1021/jm301166m Sigma non-opioid intracellular receptor 1 1
23013229 10.1021/jm301166m Unchecked 1

Data from ChEMBL 36 via Core Engine