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Compound Detail

CHEMBL10564

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O=C(O)COc1cccc2c1CCC(C/C=C/C(O)Cc1ccccc1)C2

Basic Information

ChEMBL ID CHEMBL10564
Phase Preclinical
Structure Type MOL
InChI Key ZHYVXDSUFDWWIN-ONNFQVAWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
3.80
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26O4
MW 366.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.72

Activity Summary

IC50 1 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostacyclin receptor
CHEMBL1995
IC50 5.31 5.31 4900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostacyclin receptor IC50 = 4900.0 nM 5.31 Prostaglandin I2 receptor binding by displacement of [3H]iloprost from human pla... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00167-R Prostacyclin receptor 1

Data from ChEMBL 36 via Core Engine