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Compound Detail

CHEMBL403863

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O=C(O)c1cccc(Nc2ccccc2OCc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403863
Phase Preclinical
Structure Type MOL
InChI Key CAWIJVGKPJIUGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
4.10
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.72
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 C19H16N2O3
MW 320.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
18262416 10.1016/j.bmcl.2008.01.071 Prostaglandin E2 receptor EP1 subtype 1

Data from ChEMBL 36 via Core Engine