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Compound Detail

CHEMBL65020

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COc1cc(N2C(=O)C(OC)C2c2ccc3c(c2)OCO3)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65020
Phase Preclinical
Structure Type MOL
InChI Key ASJCRGVHHQDGLN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
2.54
ALogP
7
HBA
0
HBD
75.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO7
MW 387.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
15080975 10.1016/j.bmcl.2004.02.050 IMR-32 1

Data from ChEMBL 36 via Core Engine