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Compound Detail

CHEMBL4092056

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CCCCCCNC(=O)Nc1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092056
Phase Preclinical
Structure Type MOL
InChI Key YFYCWZYKYADTRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
3.26
ALogP
2
HBA
3
HBD
69.8
PSA (Ų)
0.70
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 C14H20N4O
MW 260.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
28603987 10.1021/acs.jmedchem.7b00472 Acid ceramidase 1

Data from ChEMBL 36 via Core Engine