Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL296785

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])Oc1cccc(C[n+]2ccsc2)c1)OC

Basic Information

ChEMBL ID CHEMBL296785
Phase Preclinical
Structure Type MOL
InChI Key QRQWFVBUROQFSG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

583.8
MW (Da)
7.46
ALogP
7
HBA
0
HBD
80.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H50NO6PS
MW 583.77
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.23

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 5.92 5.92 1210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 1210.0 nM 5.92 Inhibition of PAF induced platelet aggregation in rabbit 1578493

Literature References

PubMed DOI Target Context # Activities
1578493 10.1021/jm00087a023 Platelet-activating factor receptor 1
1578493 10.1021/jm00087a023 Mus musculus 1
1578493 10.1021/jm00087a023 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine