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Compound Detail

CHEMBL272969

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CC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272969
Phase Preclinical
Structure Type MOL
InChI Key VCLIJEXQJYQZJP-GFXFGIRVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.25
ALogP
3
HBA
2
HBD
77.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO4
MW 317.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.36

Activity Summary

Ki 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP4 subtype
CHEMBL1836
 Ki 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin E2 receptor EP4 subtype Ki = 490.0 nM 6.31 Displacement of [3H]PGE4 from human EP4 receptor 18039575

Literature References

PubMed DOI Target Context # Activities
18039575 10.1016/j.bmcl.2007.11.020 Prostaglandin E2 receptor EP2 subtype 1
18039575 10.1016/j.bmcl.2007.11.020 Prostaglandin E2 receptor EP4 subtype 1

Data from ChEMBL 36 via Core Engine