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Compound Detail

CHEMBL1977783

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O=C1C(OC(=O)c2ccccc2)=C(c2ccc(O)cc2)C(=O)C(OC(=O)c2ccccc2)=C1c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1977783
Phase Preclinical
Structure Type MOL
InChI Key UFFCRNVIKXMYLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

532.5
MW (Da)
5.09
ALogP
8
HBA
2
HBD
127.2
PSA (Ų)
0.26
QED
2
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 C32H20O8
MW 532.50
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
36126897 10.1016/j.bmcl.2022.128992 HL-60 1

Data from ChEMBL 36 via Core Engine