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Compound Detail

CHEMBL306160

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C=C(C)[C@H]1O[C@@H]1c1c(O)ccc2ccc(=O)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306160
Phase Preclinical
Structure Type MOL
InChI Key RZYJPQNHTUCBBQ-TZMCWYRMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
2.51
ALogP
4
HBA
1
HBD
63.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12O4
MW 244.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 2.07

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15081008 10.1016/j.bmcl.2004.02.025 Glyceraldehyde-3-phosphate dehydrogenase 1

Data from ChEMBL 36 via Core Engine