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Compound Detail

CHEMBL3526544

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

Basic Information

ChEMBL ID CHEMBL3526544
Phase Preclinical
Structure Type MOL
InChI Key FBIPGCRLBUAKTF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.89
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H28O4
MW 308.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.59

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
22246389 10.1124/dmd.111.043331 ADMET 1
28065501 10.1016/j.bmc.2016.12.048 HCT-116 1

Data from ChEMBL 36 via Core Engine