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Compound Detail

CHEMBL3740864

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COCCCN1CCC(F)(CNC(=O)c2nc(C(C)C)n3ccccc23)CC1

Basic Information

ChEMBL ID CHEMBL3740864
Phase Preclinical
Structure Type MOL
InChI Key BHTFGLVKTBURRE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
3.03
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31FN4O2
MW 390.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.44

Activity Summary

EC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
EC50 6.2 6.2 633.0 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