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Compound Detail

CHEMBL247187

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COc1ccc(C(O)c2ccc3ccccc3c2)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247187
Phase Preclinical
Structure Type MOL
InChI Key QIQKFTROOIEKME-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
3.95
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O4
MW 324.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
17434303 10.1016/j.bmcl.2007.03.082 Tubulin 1
17434303 10.1016/j.bmcl.2007.03.082 HeLa 1
17434303 10.1016/j.bmcl.2007.03.082 A549 1
17434303 10.1016/j.bmcl.2007.03.082 HT-29 1
19647439 10.1016/j.bmc.2009.07.012 Unchecked 1
19647439 10.1016/j.bmc.2009.07.012 HT-29 1
19647439 10.1016/j.bmc.2009.07.012 HeLa 1
19647439 10.1016/j.bmc.2009.07.012 A549 1

Data from ChEMBL 36 via Core Engine