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Compound Detail

CHEMBL377245

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Cc1ccc(-c2cc(-c3ccccc3)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL377245
Phase Preclinical
Structure Type MOL
InChI Key FKPPHUTZSHDBHA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
7.40
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H25NO3
MW 459.55
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP1 subtype
CHEMBL1811
IC50 6.4 6.4 398.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16697196 10.1016/j.bmcl.2006.04.073 Prostaglandin E2 receptor EP1 subtype 1

Data from ChEMBL 36 via Core Engine