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Compound Detail

CHEMBL401707

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CC1(c2ccccc2)C(=O)Nc2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401707
Phase Preclinical
Structure Type MOL
InChI Key YUZYUJAXSZJRBF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
2.78
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.79
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 C16H13NO2
MW 251.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
18053713 10.1016/j.bmcl.2007.11.045 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine