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Compound Detail

CHEMBL232932

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Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(C(N)=O)cc1

Basic Information

ChEMBL ID CHEMBL232932
Phase Preclinical
Structure Type MOL
InChI Key YUPSRBGKEVLEET-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.3
MW (Da)
6.17
ALogP
3
HBA
1
HBD
57.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19BrF2N2O2
MW 497.34
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP1 subtype
CHEMBL1811
IC50 8.1 8.1 7.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17196385 10.1016/j.bmcl.2006.12.021 Prostaglandin E2 receptor EP1 subtype 1

Data from ChEMBL 36 via Core Engine