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Compound Detail

CHEMBL64412

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

Basic Information

ChEMBL ID CHEMBL64412
Phase Preclinical
Structure Type MOL
InChI Key JBOKIFBCJUXOEW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.3
MW (Da)
1.66
ALogP
8
HBA
1
HBD
124.5
PSA (Ų)
0.47
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 C16H16N2O8
MW 364.31
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.37

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