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Compound Detail

CHEMBL455273

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CC(=O)c1c(O)c(C)c(O)c(C(C)=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455273
Phase Preclinical
Structure Type MOL
InChI Key QQARVDDXXOAGRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

224.2
MW (Da)
1.52
ALogP
5
HBA
3
HBD
94.8
PSA (Ų)
0.66
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 C11H12O5
MW 224.21
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.95

Literature References

PubMed DOI Target Context # Activities
18818074 10.1016/j.bmcl.2008.09.041 Phospholipase A2, membrane associated 3
18818074 10.1016/j.bmcl.2008.09.041 Phospholipase A2 group V 2
18818074 10.1016/j.bmcl.2008.09.041 Group 10 secretory phospholipase A2 2

Data from ChEMBL 36 via Core Engine