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Compound Detail

CHEMBL3261871

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O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3261871
Phase Preclinical
Structure Type MOL
InChI Key OQUKYASRSNZWNF-ZHZULCJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
4.97
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14O2
MW 298.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.27

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