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Compound Detail

CHEMBL348589

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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2Cc2ccccc2)C(C)=O)cc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL348589
Phase Preclinical
Structure Type MOL
InChI Key MZYKXLVFDCKYLW-UHFFFAOYSA-M
Parent Compound CHEMBL1184426
Active Moiety CHEMBL1184426
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

557.8
MW (Da)
8.29
ALogP
3
HBA
0
HBD
50.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H49BrN2O3
MW 637.70
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.38

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine