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Compound Detail

CHEMBL5408441

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CCOC(=O)COC(=O)N(C)c1c2c(cc3c1CCC3)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408441
Phase Preclinical
Structure Type MOL
InChI Key DXMOIYIXELSGHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.80
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO4
MW 317.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
37874905 10.1021/acs.jmedchem.3c01398 NACHT, LRR and PYD domains-containing protein 3 2

Data from ChEMBL 36 via Core Engine