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

CHEMBL551585

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)N(COC(=O)c1ccc(N)cc1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL551585
Phase Preclinical
Structure Type MOL
InChI Key OJCBKSAKOBOCPU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.50
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22N2O2
MW 250.34
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.52

Activity Summary

Ki 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 5011.87 nM 5.3 Inhibition of [3H]NMS binding to muscarinic receptor in mouse N4TG1 neuroblastom... 19409797

Literature References

PubMed DOI Target Context # Activities
19409797 10.1016/j.bmc.2009.04.001 Unchecked 1

Data from ChEMBL 36 via Core Engine