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Compound Detail

CHEMBL11754

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CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccccc2)COC1.[Br-]

Basic Information

ChEMBL ID CHEMBL11754
Phase Preclinical
Structure Type MOL
InChI Key HZXALAHGWUIGAT-UHFFFAOYSA-M
Parent Compound CHEMBL1178036
Active Moiety CHEMBL1178036
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

518.8
MW (Da)
7.59
ALogP
4
HBA
0
HBD
48.6
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 C32H56BrNO4
MW 598.71
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 0.29

Activity Summary

IC50 1 meas. best 5.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 5.83 5.83 1466.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00173-Q Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine