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Compound Detail

CHEMBL498076

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COC1=CC(=O)C(O)(CC(C)=O)c2ccc3cc(OC)ccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498076
Phase Preclinical
Structure Type MOL
InChI Key VPXKSBCKKMQYCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.59
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.93
QED
0
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 C19H18O5
MW 326.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.39

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