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

CHEMBL5408125

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
CCC(=O)N(CCCN1CCN(c2ccccc2)CC1)c1ccccn1

Basic Information

ChEMBL ID CHEMBL5408125
Phase Preclinical
Structure Type MOL
InChI Key FVUBLAPDLPXPIT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.04
ALogP
4
HBA
0
HBD
39.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O
MW 352.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.81

Activity Summary

EC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
EC50 6.2 6.2 632.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38015878 10.1021/acs.jmedchem.3c01637 Mu-type opioid receptor 1
38015878 10.1021/acs.jmedchem.3c01637 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine