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Compound Detail

CHEMBL3742190

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COCCN1CCC(NC(=O)c2nc(C(C)C)n3ccccc23)CC1

Basic Information

ChEMBL ID CHEMBL3742190
Phase Preclinical
Structure Type MOL
InChI Key JFRSXHPEVWYVGF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
2.30
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N4O2
MW 344.46
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.83

Activity Summary

EC50 1 meas. best 6.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
EC50 6.84 6.84 144.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26363507 10.1016/j.ejmech.2015.08.051 5-hydroxytryptamine receptor 4 2

Data from ChEMBL 36 via Core Engine