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Compound Detail

CHEMBL592516

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COc1ccc(/C=C\n2c3c(c4cc(F)ccc42)CN(C)CC3)cc1

Basic Information

ChEMBL ID CHEMBL592516
Phase Preclinical
Structure Type MOL
InChI Key KUBYGLRWOGNROT-XFXZXTDPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.40
ALogP
3
HBA
0
HBD
17.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21FN2O
MW 336.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.54

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 5.82 5.82 1500.0 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