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Compound Detail

CHEMBL154591

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CCCCCCCCCCCCCCOc1ccc(CN(Cc2ccc[n+](C)c2)C(C)=O)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154591
Phase Preclinical
Structure Type MOL
InChI Key ZASMBBGRYAYMKL-UHFFFAOYSA-M
Parent Compound CHEMBL1181073
Active Moiety CHEMBL1181073
0
Targets
0
Activities
0
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 -0.36

Literature References

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

Data from ChEMBL 36 via Core Engine