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Compound Detail

CHEMBL3633390

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NC[C@H]1CO[C@H](c2ccccc2)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633390
Phase Preclinical
Structure Type MOL
InChI Key GDMNTJOFBONCGH-QWRGUYRKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
1.10
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15NO2
MW 193.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
26430967 10.1021/acs.jmedchem.5b01214 Unchecked 2
26430967 10.1021/acs.jmedchem.5b01214 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine