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Compound Detail

CHEMBL396149

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Nc1ccc(Cn2c3c(c4ccccc42)CCCC3)cc1

Basic Information

ChEMBL ID CHEMBL396149
Phase Preclinical
Structure Type MOL
InChI Key GGLYCQJZDRDYAK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
4.15
ALogP
2
HBA
1
HBD
30.9
PSA (Ų)
0.70
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 C19H20N2
MW 276.38
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.70

Activity Summary

Ki 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17239595 10.1016/j.bmcl.2006.12.089 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine