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Compound Detail

CHEMBL497447

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COc1ccc2c(ccc3cc(O)cc(OC)c32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497447
Phase Preclinical
Structure Type MOL
InChI Key BLEJCVUXRRNLMA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
3.72
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O3
MW 254.28
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness 0.88

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