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Compound Detail

CHEMBL220983

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COc1ccc(C(=O)/C=C/c2ccc3ccccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL220983
Phase Preclinical
Structure Type MOL
InChI Key WXTCAWIUBANCFK-NTUHNPAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
4.74
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16O2
MW 288.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
16908136 10.1016/j.bmcl.2006.08.009 Plasmodium falciparum 2
37549850 10.1016/j.bmcl.2023.129435 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine