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Compound Detail

CHEMBL2386679

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COc1ccccc1/C=C/C(=O)c1c(O)cccc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2386679
Phase Preclinical
Structure Type MOL
InChI Key SVYAXWDPXNXIFE-CCEZHUSRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
4.88
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20O4
MW 360.41
Aromatic Rings 3
Heavy Atoms 27

Literature References

PubMed DOI Target Context # Activities
23768434 10.1021/jm4003457 Molecular identity unknown 2
23768434 10.1021/jm4003457 CHO 1
27161874 10.1016/j.bmc.2016.04.045 Human immunodeficiency virus 1 1
27161874 10.1016/j.bmc.2016.04.045 ADMET 1
27161874 10.1016/j.bmc.2016.04.045 CHO 1

Data from ChEMBL 36 via Core Engine