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Compound Detail

CHEMBL346722

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CCCCCCCCCCCCCCOc1ccc(C(=O)N(Cc2cccc[n+]2C)C(C)=O)cc1OCCCCCCCCCCCCCC.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346722
Phase Preclinical
Structure Type MOL
InChI Key JOYILVUIZDCENA-UHFFFAOYSA-M
Parent Compound CHEMBL1184377
Active Moiety CHEMBL1184377
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

694.1
MW (Da)
11.86
ALogP
4
HBA
0
HBD
59.7
PSA (Ų)
0.06
QED
2
Ro5 Violations
31
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H73IN2O4
MW 820.98
Aromatic Rings 2
Heavy Atoms 50
NP-Likeness -0.21

Literature References

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

Data from ChEMBL 36 via Core Engine