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Compound Detail

CHEMBL346271

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CCCCCCCCCCCCCCOc1ccc(CNC(=O)c2ccc[n+](C)c2)cc1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL346271
Phase Preclinical
Structure Type MOL
InChI Key SOXIPFAXCPONHW-UHFFFAOYSA-N
Parent Compound CHEMBL1184361
Active Moiety CHEMBL1184361
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.7
MW (Da)
6.52
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H43IN2O2
MW 566.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.48

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8496938 10.1021/jm00057a008 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine