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Compound Detail

CHEMBL497448

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COc1ccc2c(ccc3c(-c4c(O)cc(OC)c5c4ccc4cc(O)ccc45)c(O)cc(OC)c32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497448
Phase Preclinical
Structure Type MOL
InChI Key RAUMZOBPMPBWRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

492.5
MW (Da)
7.11
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C31H24O6
MW 492.53
Aromatic Rings 6
Heavy Atoms 37
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
16792409 10.1021/np060087n A549 1
16792409 10.1021/np060087n A2780 1
16792409 10.1021/np060087n Bel-7402 1
16792409 10.1021/np060087n BGC-823 1
16792409 10.1021/np060087n HCT-8 1
16792409 10.1021/np060087n MCF7 1
16792409 10.1021/np060087n WISH 1

Data from ChEMBL 36 via Core Engine