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Compound Detail

CHEMBL20666

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CN(C)CCOc1ccccc1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL20666
Phase Preclinical
Structure Type MOL
InChI Key HEGXUUYKFGNKJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
3.29
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19NO
MW 241.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.74

Activity Summary

Ki 1 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 6.81 6.81 156.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2453673 10.1021/jm00401a027 Calf thymus DNA 1
20138771 10.1016/j.bmc.2010.01.035 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine