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Compound Detail

CHEMBL4128585

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CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\C(=O)CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4128585
Phase Preclinical
Structure Type MOL
InChI Key UHNUULCIKILOHW-PQVBWYSWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.5
MW (Da)
5.73
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30O3
MW 342.48
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.19

Literature References

PubMed DOI Target Context # Activities
29866479 10.1016/j.bmc.2018.05.036 Oxoeicosanoid receptor 1 2

Data from ChEMBL 36 via Core Engine