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Compound Detail

CHEMBL2170045

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Cc1cc(OCCN2CCOCC2)n(-c2ccc3ccccc3c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170045
Phase Preclinical
Structure Type MOL
InChI Key NWCBWZLAEWEZHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.04
ALogP
5
HBA
0
HBD
39.5
PSA (Ų)
0.72
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 C20H23N3O2
MW 337.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
22784008 10.1021/jm3007323 Sigma non-opioid intracellular receptor 1 1
22784008 10.1021/jm3007323 Unchecked 1

Data from ChEMBL 36 via Core Engine