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Compound Detail

CHEMBL3885118

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CCCCCC(CC(=O)CCc1ccc(OC)c(OC)c1)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3885118
Phase Preclinical
Structure Type MOL
InChI Key IZEIPXBCPYUZCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.19
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30O4
MW 322.45
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.19

Literature References

PubMed DOI Target Context # Activities
28065501 10.1016/j.bmc.2016.12.048 NON-PROTEIN TARGET 3
28065501 10.1016/j.bmc.2016.12.048 Leukotriene A-4 hydrolase 2
28065501 10.1016/j.bmc.2016.12.048 HCT-116 1

Data from ChEMBL 36 via Core Engine