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Compound Detail

CHEMBL253271

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CC1(c2ccccc2)C(=O)Nc2cc(Cl)c(Cl)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL253271
Phase Preclinical
Structure Type MOL
InChI Key JJCUSEGDUMQHLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.2
MW (Da)
4.09
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.80
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 C16H11Cl2NO2
MW 320.18
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.05

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