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Compound Detail

CHEMBL327038

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O=C1CC(CN2CCOCC2)Cc2[nH]c3ccccc3c21

Basic Information

ChEMBL ID CHEMBL327038
Phase Preclinical
Structure Type MOL
InChI Key WMHDJYIJHLDOPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
2.25
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O2
MW 284.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
9934473 10.1016/s0960-894x(98)00639-8 5-hydroxytryptamine receptor 2A 2
9934473 10.1016/s0960-894x(98)00639-8 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine