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

CHEMBL2333060

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
CCCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2333060
Phase Preclinical
Structure Type MOL
InChI Key JNQHBKLRBXQHJO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
1.59
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.75
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 C13H20FN3O3
MW 285.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acid ceramidase
CHEMBL2331070
 IC50 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acid ceramidase IC50 = 46.0 nM 7.34 Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells us... 23614460

Literature References

PubMed DOI Target Context # Activities
23614460 10.1021/jm301879g Acid ceramidase 1

Data from ChEMBL 36 via Core Engine