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Compound Detail

CHEMBL2333056

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CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2333056
Phase Preclinical
Structure Type MOL
InChI Key DFKUCUBLDFSSQJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
1.98
ALogP
6
HBA
1
HBD
90.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20FN3O4
MW 361.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.91

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acid ceramidase
CHEMBL2331070
 IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acid ceramidase IC50 = 20.0 nM 7.7 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