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Compound Detail

CHEMBL207175

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O=C(O)c1cccc(-c2nccnc2-c2cc(Cl)ccc2OCc2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL207175
Phase Preclinical
Structure Type MOL
InChI Key LEKGNTCKYBKOGI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.9
MW (Da)
5.74
ALogP
4
HBA
1
HBD
72.3
PSA (Ų)
0.43
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 C24H17ClN2O3
MW 416.86
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.73

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
16503138 10.1016/j.bmcl.2006.02.014 Prostaglandin E2 receptor EP1 subtype 2

Data from ChEMBL 36 via Core Engine