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Compound Detail

CHEMBL62570

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CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

Basic Information

ChEMBL ID CHEMBL62570
Phase Preclinical
Structure Type MOL
InChI Key GMVPRGQOIOIIMI-CHCORRSHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
3.48
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H34O5
MW 354.49
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.70

Activity Summary

EC50 2 meas. best 9.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin E2 receptor EP4 subtype
CHEMBL1836
EC50 9.66 9.66 0.2 1
Prostaglandin E2 receptor EP2 subtype
CHEMBL1881
EC50 7.78 7.78 16.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine