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Compound Detail

CHEMBL157596

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CCCCCCCCCCCCCCCCCCOCC(COC(=O)NCC[N+](C)(C)C)OC(C)=O.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL157596
Phase Preclinical
Structure Type MOL
InChI Key FUEILAZBQJNZJF-UHFFFAOYSA-N
Parent Compound CHEMBL1181162
Active Moiety CHEMBL1181162
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.8
MW (Da)
6.63
ALogP
5
HBA
1
HBD
73.9
PSA (Ų)
0.08
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 C29H59BrN2O5
MW 595.70
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 0.39

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 IC50 5.08 5.08 8400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor IC50 = 8400.0 nM 5.08 Inhibition of rabbit platelet aggregation induced by platelet activating factor ... 2909744

Literature References

PubMed DOI Target Context # Activities
2909744 10.1021/jm00121a012 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine