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Compound Detail

CHEMBL3262095

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O=Cc1ccc(-c2ccc(/C=C3\Oc4ccccc4C3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262095
Phase Preclinical
Structure Type MOL
InChI Key JGEIQLZQASTVMS-BKUYFWCQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
4.78
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14O3
MW 326.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
24813880 10.1016/j.ejmech.2014.04.076 Unchecked 2
- 10.1039/C5MD00164A Neutrophil elastase 2
24813880 10.1016/j.ejmech.2014.04.076 Plasmodium falciparum 1
24813880 10.1016/j.ejmech.2014.04.076 HEK-293T 1
- 10.1039/C5MD00164A HEK293 1

Data from ChEMBL 36 via Core Engine