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Compound Detail

CHEMBL184666

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COc1cccc(OC)c1-c1cccc2c1CC[C@H](N)C2

Basic Information

ChEMBL ID CHEMBL184666
Phase Preclinical
Structure Type MOL
InChI Key JESMEDGWESGLLT-ZDUSSCGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
3.19
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.94
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 C18H21NO2
MW 283.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.65

Activity Summary

Ki 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 7
CHEMBL3223
Ki 7.1 7.1 78.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15267230 10.1021/jm0498102 5-hydroxytryptamine receptor 7 2
15267230 10.1021/jm0498102 5-hydroxytryptamine receptor 1A 1
15267230 10.1021/jm0498102 D(2) dopamine receptor 1
15267230 10.1021/jm0498102 Unchecked 1

Data from ChEMBL 36 via Core Engine