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Compound Detail

CHEMBL62516

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COc1cc(N2C(=O)C(OC(C)=O)C2c2ccc(N)o2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL62516
Phase Preclinical
Structure Type MOL
InChI Key QXHBZYPVJVORCV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
1.91
ALogP
8
HBA
1
HBD
113.5
PSA (Ų)
0.60
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 C18H20N2O7
MW 376.37
Aromatic Rings 2
Heavy Atoms 27
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