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Compound Detail

CHEMBL347593

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CCCCCCCCCCCCCCOc1ccccc1CN(Cc1cccc[n+]1C)C(C)=O.[I-]

Basic Information

ChEMBL ID CHEMBL347593
Phase Preclinical
Structure Type MOL
InChI Key FSVOTEQDIHWZOI-UHFFFAOYSA-M
Parent Compound CHEMBL1184398
Active Moiety CHEMBL1184398
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.7
MW (Da)
7.14
ALogP
2
HBA
0
HBD
33.4
PSA (Ų)
0.17
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H47IN2O2
MW 594.62
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 4.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 4.37 4.37 43000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8496938 10.1021/jm00057a008 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine