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Compound Detail

CHEMBL102914

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O=C(/C=C/c1ccccc1)CC(=O)/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102914
Phase Preclinical
Structure Type MOL
InChI Key UXLWOYFDJVFCBR-PHEQNACWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
3.94
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H16O2
MW 276.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.48

Literature References

PubMed DOI Target Context # Activities
9301668 10.1021/jm970190x Human immunodeficiency virus type 1 integrase 2
26894841 10.1016/j.ejmech.2016.02.019 HepG2 1
36608774 10.1016/j.bmcl.2023.129123 Trypanosoma brucei 1
36608774 10.1016/j.bmcl.2023.129123 HEK293 1

Data from ChEMBL 36 via Core Engine