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Compound Detail

CHEMBL4162662

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O=c1c(OCCCO)coc2ccc(CC3CCCCC3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162662
Phase Preclinical
Structure Type MOL
InChI Key NDQRUZJKWKIUME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.68
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.83
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 C19H24O4
MW 316.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
28803045 10.1016/j.ejmech.2017.07.069 Interleukin-5 2

Data from ChEMBL 36 via Core Engine