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Compound Detail

CHEMBL1923553

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

Basic Information

ChEMBL ID CHEMBL1923553
Phase Preclinical
Structure Type MOL
InChI Key SKSDWZSMRZFLKV-GWELZFCUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

801.2
MW (Da)
9.89
ALogP
10
HBA
3
HBD
154.2
PSA (Ų)
0.03
QED
2
Ro5 Violations
39
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H84N2O8S
MW 801.23
Aromatic Rings 0
Heavy Atoms 55
NP-Likeness 0.31

Literature References

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

Data from ChEMBL 36 via Core Engine