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Compound Detail

CHEMBL2237020

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O=C(/C=C/c1ccccc1)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2237020
Phase Preclinical
Structure Type MOL
InChI Key LTWFSMHHLMTFFU-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
5.25
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16O
MW 284.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-9969-1 Mus musculus 6
- 10.1007/s00044-012-9969-1 Rattus norvegicus 1
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