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Compound Detail

CHEMBL434809

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CN1CCc2cc(O)ccc2[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434809
Phase Preclinical
Structure Type MOL
InChI Key SEOCRZIFZOBRNU-MRXNPFEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
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 0.46

Literature References

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

Data from ChEMBL 36 via Core Engine