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Compound Detail

CHEMBL177233

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COc1ccc2c(c1)c1c(n2C(=O)c2ccc(N)cc2)CCCC1

Basic Information

ChEMBL ID CHEMBL177233
Phase Preclinical
Structure Type MOL
InChI Key QCUITMHJEJDURN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.80
ALogP
4
HBA
1
HBD
57.2
PSA (Ų)
0.73
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 C20H20N2O2
MW 320.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.59

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