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Compound Detail

CHEMBL230873

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Cc1ccc(OCc2ccc(F)cc2)c(-c2ccc(C)n2-c2ccc(F)c(C(=O)O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230873
Phase Preclinical
Structure Type MOL
InChI Key IDVFBZMFOPWQDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
6.32
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.39
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 C26H21F2NO3
MW 433.45
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP1 subtype
CHEMBL1811
 IC50 7.8 7.8 15.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin E2 receptor EP1 subtype IC50 = 15.85 nM 7.8 Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 ... 17175160

Literature References

PubMed DOI Target Context # Activities
17175160 10.1016/j.bmcl.2006.11.059 Prostaglandin E2 receptor EP1 subtype 1

Data from ChEMBL 36 via Core Engine