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Compound Detail

CHEMBL2331572

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CCCCCCN(C)C(=O)n1ccc(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2331572
Phase Preclinical
Structure Type MOL
InChI Key BNEIYSMXRMKATJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
1.02
ALogP
4
HBA
1
HBD
75.2
PSA (Ų)
0.80
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 C12H19N3O3
MW 253.30
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.63

Literature References

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

Data from ChEMBL 36 via Core Engine