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Compound Detail

CHEMBL318154

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COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@]12C

Basic Information

ChEMBL ID CHEMBL318154
Phase Preclinical
Structure Type MOL
InChI Key YXMKSVRISAZMHG-GTNSWQLSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.9
MW (Da)
2.54
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24ClN3O2
MW 337.85
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.32

Activity Summary

EC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL4317
EC50 6.35 6.35 449.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15149647 10.1016/j.bmcl.2004.04.021 5-hydroxytryptamine receptor 4 1

Data from ChEMBL 36 via Core Engine