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Compound Detail

CHEMBL325603

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CCn1c(=O)n(C(=O)NC2CC3CCCC(C2)N3C)c2ccccc21

Basic Information

ChEMBL ID CHEMBL325603
Phase Preclinical
Structure Type MOL
InChI Key UEYRRMVOMQCUML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.40
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.91
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 C19H26N4O2
MW 342.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.71

Activity Summary

EC50 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL2183
EC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12540230 10.1021/jm020099f 5-hydroxytryptamine receptor 4 1

Data from ChEMBL 36 via Core Engine