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Compound Detail

CHEMBL129258

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O=C1OC(O)c2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL129258
Phase Preclinical
Structure Type MOL
InChI Key QOHCJUVTMMKDQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

482.5
MW (Da)
5.25
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H26O6
MW 482.53
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness 0.46

Literature References

PubMed DOI Target Context # Activities
8831761 10.1021/jm960301c Homo sapiens 2
8831761 10.1021/jm960301c Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine