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Compound Detail

CHEMBL521769

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COc1ccc2cn(C(C)(CO)CO)c3c2c1C(=O)c1ccoc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL521769
Phase Preclinical
Structure Type MOL
InChI Key XKNMBOBGWZSLTC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
2.15
ALogP
6
HBA
2
HBD
84.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO5
MW 327.34
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.03

Literature References

PubMed DOI Target Context # Activities
10425117 10.1021/np9900019 Saccharomyces cerevisiae 2
10425117 10.1021/np9900019 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine