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Compound Detail

CHEMBL5285504

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CCCCCCCCNC(=O)[C@@H]1CN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)NCCCCCCCC)[C@H](C(=O)NCCCCCCCC)C3)cc2)C[C@H]1C(=O)NCCCCCCCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285504
Phase Preclinical
Structure Type MOL
InChI Key JOLYWWJPWHBNHY-AXRJLGSNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

893.3
MW (Da)
8.97
ALogP
6
HBA
4
HBD
157.0
PSA (Ų)
0.05
QED
2
Ro5 Violations
34
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H88N6O6
MW 893.31
Aromatic Rings 1
Heavy Atoms 64
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
33346636 10.1021/acs.jmedchem.0c01627 Toll-like receptor 1/2 2

Data from ChEMBL 36 via Core Engine