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Compound Detail

CHEMBL591570

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CN1CCc2c(c3cc(F)ccc3n2/C=C\c2ccccc2)C1

Basic Information

ChEMBL ID CHEMBL591570
Phase Preclinical
Structure Type MOL
InChI Key BGBNMDBTYCCSBL-XFXZXTDPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
4.40
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19FN2
MW 306.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
IC50 6.0 6.0 1000.0 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