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Compound Detail

CHEMBL270174

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O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL270174
Phase Preclinical
Structure Type MOL
InChI Key ZCBQEXNDAUWJPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

353.8
MW (Da)
4.60
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.70
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 C20H16ClNO3
MW 353.80
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP1 subtype
CHEMBL1811
IC50 6.8 6.8 158.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin E2 receptor EP1 subtype IC50 = 158.49 nM 6.8 Displacement of [3H]PGE2 from EP1 receptor 18262416

Literature References

PubMed DOI Target Context # Activities
18262416 10.1016/j.bmcl.2008.01.071 Prostaglandin E2 receptor EP1 subtype 1
18262416 10.1016/j.bmcl.2008.01.071 No relevant target 1

Data from ChEMBL 36 via Core Engine