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Compound Detail

CHEMBL157330

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CCCCCCCCCCCCCCOc1ccc(CN(Cc2cccc[n+]2CC)C(C)=O)cc1.[I-]

Basic Information

ChEMBL ID CHEMBL157330
Phase Preclinical
Structure Type MOL
InChI Key UCIRBMDSWLNSJF-UHFFFAOYSA-M
Parent Compound CHEMBL1181156
Active Moiety CHEMBL1181156
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.8
MW (Da)
7.62
ALogP
2
HBA
0
HBD
33.4
PSA (Ų)
0.15
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H49IN2O2
MW 608.65
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.58

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 8300.0 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