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Compound Detail

CHEMBL4174036

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C=CCc1ccc(OCC=C(C)C)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4174036
Phase Preclinical
Structure Type MOL
InChI Key AJQKVRDKBABNPR-UHFFFAOYSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
3.77
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O2
MW 232.32
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.89

Activity Summary

EC50 2 meas.
IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
28826085 10.1016/j.ejmech.2017.08.030 Peritoneal macrophage 3
28826085 10.1016/j.ejmech.2017.08.030 Leishmania donovani 2
28826085 10.1016/j.ejmech.2017.08.030 ADMET 2
28826085 10.1016/j.ejmech.2017.08.030 RAW264.7 1

Data from ChEMBL 36 via Core Engine