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Compound Detail

CHEMBL482997

TOXYLOXANTHONE B
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CC1(C)C=Cc2c(c(O)cc3oc4cc(O)cc(O)c4c(=O)c23)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL482997
Name TOXYLOXANTHONE B
Phase Preclinical
Structure Type MOL
InChI Key MFKYNKVEQUTJEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
3.25
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H14O6
MW 326.30
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 2.53

Literature References

PubMed DOI Target Context # Activities
15568778 10.1021/np040024+ A549 2
15568778 10.1021/np040024+ MCF7 2
24960143 10.1021/np5003498 HepG2 1
24960143 10.1021/np5003498 MCF7 1
24960143 10.1021/np5003498 MDA-MB-231 1
24960143 10.1021/np5003498 ADMET 1
24960143 10.1021/np5003498 RAW264.7 1

Data from ChEMBL 36 via Core Engine