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Compound Detail

CHEMBL5440667

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CCCC1CN(C(=O)c2ccc(C(=O)N3CC(CCC)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)CC1C(=O)N[C@H]1C[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5440667
Phase Preclinical
Structure Type MOL
InChI Key QAWLLIIHWMPZSV-UPLVRDBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

674.9
MW (Da)
6.01
ALogP
4
HBA
2
HBD
98.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H50N4O4
MW 674.89
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
36174413 10.1016/j.ejmech.2022.114771 Toll-like receptor 2 1

Data from ChEMBL 36 via Core Engine