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Compound Detail

CHEMBL5440490

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CCC1CN(C(=O)c2ccc(C(=O)N3CC(CC)[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 CHEMBL5440490
Phase Preclinical
Structure Type MOL
InChI Key PJJFADCTBBBQRM-PLMVZHOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

646.8
MW (Da)
5.23
ALogP
4
HBA
2
HBD
98.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H46N4O4
MW 646.83
Aromatic Rings 3
Heavy Atoms 48
NP-Likeness -0.38

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