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Compound Detail

CHEMBL1784998

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COCCOCCOCCOCCOC(=O)NCC[N+](C)(C)C.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784998
Phase Preclinical
Structure Type MOL
InChI Key YYWLWRPUFNDSCA-UHFFFAOYSA-N
Parent Compound CHEMBL1789554
Active Moiety CHEMBL1789554
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
0.12
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H33IN2O6
MW 464.34
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness -0.31

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19006672 10.1016/j.bmc.2008.10.045 Unchecked 1

Data from ChEMBL 36 via Core Engine