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

CHEMBL1812419

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
CCCCCCCCn1c2ccccc2c2ccc(OCC(N)=O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812419
Phase Preclinical
Structure Type MOL
InChI Key MPFREEBCRZHCJR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
5.02
ALogP
3
HBA
1
HBD
57.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O2
MW 352.48
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.74

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21763147 10.1016/j.bmc.2011.06.062 Gamma-secretase 3
21763147 10.1016/j.bmc.2011.06.062 H4 1

Data from ChEMBL 36 via Core Engine