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Compound Detail

CHEMBL4293250

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Cc1cc(=O)c(O)c(Cc2ccc(OCc3ccccc3)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4293250
Phase Preclinical
Structure Type MOL
InChI Key MVKLETZOXYFDAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.82
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.78
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 C20H18O4
MW 322.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
30108937 10.1039/C7MD00551B U-87 MG 1
30108937 10.1039/C7MD00551B HT-1080 1
30108937 10.1039/C7MD00551B Isocitrate dehydrogenase [NADP] cytoplasmic 1

Data from ChEMBL 36 via Core Engine