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Compound Detail

CHEMBL368783

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COc1ccc2c(c1)c1c(n2Cc2ccc(N)cc2)CCCC1

Basic Information

ChEMBL ID CHEMBL368783
Phase Preclinical
Structure Type MOL
InChI Key ADOJHSKLRYYKAN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
4.16
ALogP
3
HBA
1
HBD
40.2
PSA (Ų)
0.74
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 C20H22N2O
MW 306.41
Aromatic Rings 3
Heavy Atoms 23
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
15050637 10.1016/j.bmcl.2004.01.071 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine