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Compound Detail

CHEMBL2164344

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COc1ccccc1-c1ccccc1N1CCNCC1

Basic Information

ChEMBL ID CHEMBL2164344
Phase Preclinical
Structure Type MOL
InChI Key SGLRJKLZBKJIEM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
2.77
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.93
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 C17H20N2O
MW 268.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.40

Activity Summary

Ki 1 meas. best 7.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3155
Ki 7.74 7.74 18.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 7 Ki = 18.4 nM 7.74 Displacement of [3H]-5-CT from human cloned 5HT7 receptor 22738316

Literature References

PubMed DOI Target Context # Activities
22738316 10.1021/jm3003679 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine