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Compound Detail

CHEMBL324057

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CC(C)n1c(=O)n(C(=O)NC2CC3CCCC(C2)N3C)c2ccccc21

Basic Information

ChEMBL ID CHEMBL324057
Phase Preclinical
Structure Type MOL
InChI Key AJHCSFKCWMDCCD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
2.96
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.90
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 C20H28N4O2
MW 356.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.65

Activity Summary

EC50 2 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL4317
EC50 7.39 7.39 40.3 1
5-hydroxytryptamine receptor 4
CHEMBL2183
EC50 7.14 7.14 72.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12540230 10.1021/jm020099f 5-hydroxytryptamine receptor 4 2

Data from ChEMBL 36 via Core Engine