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Compound Detail

CHEMBL341373

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CCN(CC)C[C@H]1C[C@@H]1c1ccccc1O

Basic Information

ChEMBL ID CHEMBL341373
Phase Preclinical
Structure Type MOL
InChI Key XWZXWOIUWIDZQF-YPMHNXCESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
2.84
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21NO
MW 219.33
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.41

Activity Summary

Ki 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 5A
CHEMBL4655
Ki 6.3 6.3 506.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00045-5 5-hydroxytryptamine receptor 5A 1

Data from ChEMBL 36 via Core Engine