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Compound Detail

CHEMBL1830725

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CCCN(CCC)C(=O)c1coc(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830725
Phase Preclinical
Structure Type MOL
InChI Key GJZZBNXBSWXNPY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
3.60
ALogP
3
HBA
0
HBD
46.3
PSA (Ų)
0.81
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 C16H20N2O2
MW 272.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
21824692 10.1016/j.ejmech.2011.07.025 Translocator protein 1

Data from ChEMBL 36 via Core Engine