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Compound Detail

CHEMBL3262101

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Cc1ccc(Oc2ccc(/C=C3\Oc4ccccc4C3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262101
Phase Preclinical
Structure Type MOL
InChI Key FWMRRBRHTQWKJL-STZFKDTASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
5.40
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16O3
MW 328.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.41

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
- 10.1039/C5MD00164A NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine