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Compound Detail

CHEMBL7379

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CCCc1[nH]c2ccc(OC)cc2c1CCN(C)C

Basic Information

ChEMBL ID CHEMBL7379
Phase Preclinical
Structure Type MOL
InChI Key BCOTUUNTPYJFKB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

260.4
MW (Da)
3.23
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H24N2O
MW 260.38
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.19

Activity Summary

Ki 2 meas. best 6.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 6
CHEMBL3371
Ki 6.73 6.73 185.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10715164 10.1021/jm990550b 5-hydroxytryptamine receptor 6 1
15357994 10.1016/j.bmcl.2004.05.076 5-hydroxytryptamine receptor 6 1

Data from ChEMBL 36 via Core Engine