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Compound Detail

CHEMBL293028

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COc1ccc(N2C(=O)C(OC(C)=O)C2c2cc(OC)c(OC)c(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293028
Phase Preclinical
Structure Type MOL
InChI Key QNGSLMVJMZWFJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
2.74
ALogP
7
HBA
0
HBD
83.5
PSA (Ų)
0.52
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 C21H23NO7
MW 401.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.28

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