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Compound Detail

CHEMBL387124

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O=C1OC[C@H]2[C@@H]1CO[C@H]2c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL387124
Phase Preclinical
Structure Type MOL
InChI Key MUJSDHOMVUBTSP-AUTRQRHGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
1.28
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H12O5
MW 248.23
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.89

Literature References

PubMed DOI Target Context # Activities
17253847 10.1021/np060479u NIH3T3 1

Data from ChEMBL 36 via Core Engine