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Compound Detail

CHEMBL173892

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COc1ccc2c(c1)CCCC2CCCCN1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173892
Phase Preclinical
Structure Type MOL
InChI Key UTJCIJZHTCPCLB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.5
MW (Da)
4.77
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H31NO
MW 301.47
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
16366605 10.1021/jm050654o Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine