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Compound Detail

CHEMBL157123

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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1OC.[I-]

Basic Information

ChEMBL ID CHEMBL157123
Phase Preclinical
Structure Type MOL
InChI Key HBRDSTOKHFRMHL-UHFFFAOYSA-M
Parent Compound CHEMBL1181153
Active Moiety CHEMBL1181153
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

511.7
MW (Da)
6.79
ALogP
4
HBA
0
HBD
59.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H47IN2O4
MW 638.63
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.26

Activity Summary

IC50 1 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
IC50 7.19 7.19 64.0 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
8496938 10.1021/jm00057a008 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine