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

CHEMBL1348426

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
CC(C)COc1ccc(C(=O)OC2CC(C)(C)OCC2CN(C)C)cc1.Cl

Basic Information

ChEMBL ID CHEMBL1348426
Phase Preclinical
Structure Type MOL
InChI Key IKMPUAYGBBZEAE-UHFFFAOYSA-N
Parent Compound CHEMBL1617044
Active Moiety CHEMBL1617044
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
3.62
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.69
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 C21H34ClNO4
MW 399.96
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.19

Activity Summary

IC50 2 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 5.26 5.26 5546.0 1
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 5.1 5.1 8009.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine