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Compound Detail

CHEMBL4435072

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COc1cc(CCC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4435072
Phase Preclinical
Structure Type MOL
InChI Key TVOVUCGNZNLBOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
5.19
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24O4
MW 376.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine