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Compound Detail

CHEMBL252673

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CC1(c2ccccc2)C(=O)Nc2cc(Br)cc(Br)c2C1=O

Basic Information

ChEMBL ID CHEMBL252673
Phase Preclinical
Structure Type MOL
InChI Key FTFCLURVGKMMQL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.1
MW (Da)
4.30
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.71
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 C16H11Br2NO2
MW 409.08
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.36

Activity Summary

Ki 1 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 6.71 6.71 196.9 1

Activity Data Samples

Top measurements by pChEMBL value

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