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Compound Detail

CHEMBL3629248

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C/C=C/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/c1cc(OC)cc(OC)c1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3629248
Phase Preclinical
Structure Type MOL
InChI Key VOQPOIOVAHLXEH-XKGNTPJVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.32
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26O7
MW 390.43
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
26481152 10.1016/j.bmc.2015.09.037 Mitogen-activated protein kinase kinase kinase 7 1

Data from ChEMBL 36 via Core Engine