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Compound Detail

CHEMBL1923550

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CCCCCCCCCCCCCCCC(=O)OCCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923550
Phase Preclinical
Structure Type MOL
InChI Key ZMXBQHMORVPEQZ-GOTSBHOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

518.8
MW (Da)
4.11
ALogP
8
HBA
3
HBD
128.0
PSA (Ų)
0.13
QED
1
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H50N2O6S
MW 518.76
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 0.21

Literature References

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

Data from ChEMBL 36 via Core Engine