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Compound Detail

CHEMBL2333047

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CCCCCCNC(=O)n1c(Cl)cc(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2333047
Phase Preclinical
Structure Type MOL
InChI Key VPPKAZXJQCGFJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

273.7
MW (Da)
1.33
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.63
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 C11H16ClN3O3
MW 273.72
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
23614460 10.1021/jm301879g No relevant target 1
23614460 10.1021/jm301879g Acid ceramidase 1

Data from ChEMBL 36 via Core Engine