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Compound Detail

CHEMBL451518

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COc1cc2ccc(=O)oc2c(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL451518
Phase Preclinical
Structure Type MOL
InChI Key HOEVRHHMDJKUMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
1.52
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.78
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 C11H10O5
MW 222.20
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 1.39

Literature References

PubMed DOI Target Context # Activities
7463096 10.1021/np50011a020 KB 1
7463096 10.1021/np50011a020 P388 1
25666824 10.1016/j.bmcl.2015.01.034 RAW264.7 1
27919656 10.1016/j.bmcl.2016.11.069 NON-PROTEIN TARGET 1
31784199 10.1016/j.bmc.2019.115180 A549 1
31784199 10.1016/j.bmc.2019.115180 SK-MEL-2 1
31784199 10.1016/j.bmc.2019.115180 SK-OV-3 1
31784199 10.1016/j.bmc.2019.115180 XF498 1
31784199 10.1016/j.bmc.2019.115180 HCT-15 1

Data from ChEMBL 36 via Core Engine