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Compound Detail

CHEMBL248595

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CCCN1CCO[C@@H](c2cccc(O)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248595
Phase Preclinical
Structure Type MOL
InChI Key WYEGTIGJSHGEID-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
2.18
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19NO2
MW 221.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
17976986 10.1016/j.bmcl.2007.10.059 D(2) dopamine receptor 1
17976986 10.1016/j.bmcl.2007.10.059 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine