Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3739933

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COCC(C)(C)CN1CCC(NC(=O)c2nc(C(C)C)n3ccccc23)CC1

Basic Information

ChEMBL ID CHEMBL3739933
Phase Preclinical
Structure Type MOL
InChI Key GIZMBBNMIPPKBE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
3.32
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.79
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 C22H34N4O2
MW 386.54
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.48

Activity Summary

EC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 4
CHEMBL1875
EC50 7.33 7.33 47.0 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