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Compound Detail

CHEMBL64038

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COc1ccc(C2C(OC)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64038
Phase Preclinical
Structure Type MOL
InChI Key KCXJMMJALCDAAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
2.41
ALogP
7
HBA
1
HBD
92.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2O6
MW 388.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.19

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