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Compound Detail

CHEMBL592514

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Cc1ccc2c(c1)c1c(n2/C=C\c2ccc(C(F)(F)F)cc2)CCN(C)C1

Basic Information

ChEMBL ID CHEMBL592514
Phase Preclinical
Structure Type MOL
InChI Key LZUIBAORLZILET-XFXZXTDPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
5.58
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21F3N2
MW 370.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 5.55 5.55 2810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19945877 10.1016/j.bmcl.2009.11.037 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine