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Compound Detail

CHEMBL1088293

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O=C(/C=C/c1ccc(OC(=O)c2ccccc2)cc1)CC(=O)/C=C/c1ccc(OC(=O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1088293
Phase Preclinical
Structure Type MOL
InChI Key GPELDDFWTOTDLP-JYFOCSDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

516.5
MW (Da)
6.38
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H24O6
MW 516.55
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 0.17

Literature References

PubMed DOI Target Context # Activities
20004045 10.1016/j.ejmech.2009.11.035 Trypanosoma brucei brucei 3
20004045 10.1016/j.ejmech.2009.11.035 Leishmania major 1
20004045 10.1016/j.ejmech.2009.11.035 Leishmania mexicana 1
20004045 10.1016/j.ejmech.2009.11.035 HEK293 1

Data from ChEMBL 36 via Core Engine