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Compound Detail

CHEMBL2331795

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COc1noc2c1CCN(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2331795
Phase Preclinical
Structure Type MOL
InChI Key CDQYOYMCJUJUGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
0.71
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.64
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 C9H14N2O2
MW 182.22
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2A 6
23301527 10.1021/jm301656h 5-hydroxytryptamine receptor 2C 3

Data from ChEMBL 36 via Core Engine