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Compound Detail

CHEMBL109723

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CN1CCc2ccc(O)cc2C1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109723
Phase Preclinical
Structure Type MOL
InChI Key PEUDHTAWXOYHKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
2.97
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO
MW 239.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
7996543 10.1021/jm00051a008 D(1A) dopamine receptor 3
10464009 10.1021/jm980415j D(1A) dopamine receptor 1

Data from ChEMBL 36 via Core Engine