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Compound Detail

CHEMBL327192

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CS(=O)(=O)NCCN1CCC(CNC(=O)c2cccc3[nH]cnc23)CC1

Basic Information

ChEMBL ID CHEMBL327192
Phase Preclinical
Structure Type MOL
InChI Key GXMGQJFMFLSJJT-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
0.55
ALogP
5
HBA
3
HBD
107.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N5O3S
MW 379.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.69

Activity Summary

Ki 3 meas. best 7.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL4317
Ki 7.94 7.94 11.4 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11597405 10.1016/s0960-894x(01)00517-0 5-hydroxytryptamine receptor 4 2
12383006 10.1021/jm020807x 5-hydroxytryptamine receptor 4 1

Data from ChEMBL 36 via Core Engine