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Compound Detail

CHEMBL4103996

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O=C(NCCCCc1ccccc1)Nc1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4103996
Phase Preclinical
Structure Type MOL
InChI Key ODCAQMAHYZZSMI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
4.44
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.66
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 C18H19N3OS
MW 325.44
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.90

Literature References

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

Data from ChEMBL 36 via Core Engine