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Compound Detail

CHEMBL207576

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O=C(O)c1cccc(-c2ncnn2-c2cc(Cl)ccc2OCc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL207576
Phase Preclinical
Structure Type MOL
InChI Key YZYJORNXXMKHBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.8
MW (Da)
4.86
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.50
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 C22H16ClN3O3
MW 405.84
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
16503138 10.1016/j.bmcl.2006.02.014 Prostaglandin E2 receptor EP1 subtype 2

Data from ChEMBL 36 via Core Engine