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Compound Detail

CHEMBL1923543

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CCOCCOCCOCCCNCC(=O)OC[C@H](CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)O)OC(=O)CNCCCOCCOCCOCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923543
Phase Preclinical
Structure Type MOL
InChI Key OOPZRAWFTCGPMQ-PVHODMMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

744.9
MW (Da)
-1.84
ALogP
17
HBA
6
HBD
244.7
PSA (Ų)
0.03
QED
3
Ro5 Violations
37
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H60N4O14S
MW 744.90
Aromatic Rings 0
Heavy Atoms 50
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
22007676 10.1021/jm201071e Toll-like receptor 2 1

Data from ChEMBL 36 via Core Engine