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Compound Detail

CHEMBL4171737

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

Basic Information

ChEMBL ID CHEMBL4171737
Phase Preclinical
Structure Type MOL
InChI Key GZKIAPLXSBWPRY-UHFFFAOYSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
2.74
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16O3
MW 220.27
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.30

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