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Compound Detail

CHEMBL490336

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O=C1c2ccccc2C(=O)c2oc(CNC(CO)(CO)CO)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490336
Phase Preclinical
Structure Type MOL
InChI Key TYDGKOMALMQURT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
-0.14
ALogP
7
HBA
4
HBD
120.0
PSA (Ų)
0.50
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 C17H17NO6
MW 331.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.80

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