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Compound Detail

CHEMBL249792

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CCCN1CCOC(c2ccc(O)c(CO)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL249792
Phase Preclinical
Structure Type MOL
InChI Key XSBBAMFLUVXOOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
1.67
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21NO3
MW 251.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
17976986 10.1016/j.bmcl.2007.10.059 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine