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Compound Detail

CHEMBL3338324

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CC(=O)NC[C@@H](OC[C@H](O)CO)c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3338324
Phase Preclinical
Structure Type MOL
InChI Key USNGVWJDSUVJQD-ZWNOBZJWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
-0.36
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19NO6
MW 285.30
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25442305 10.1016/j.bmcl.2014.09.083 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine