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Compound Detail

CHEMBL159689

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CN(C)CCC1CCc2ccccc21

Basic Information

ChEMBL ID CHEMBL159689
Phase Preclinical
Structure Type MOL
InChI Key GUSRAZQUKLSRMX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

189.3
MW (Da)
2.67
ALogP
1
HBA
0
HBD
3.2
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 C13H19N
MW 189.30
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.33

Activity Summary

Kd 1 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2B
CHEMBL323
Kd 5.34 5.34 4570.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2B Kd = 4570.88 nM 5.34 The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus 7086824

Literature References

PubMed DOI Target Context # Activities
7086824 10.1021/jm00343a013 5-hydroxytryptamine receptor 2B 1

Data from ChEMBL 36 via Core Engine