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Compound Detail

CHEMBL5404208

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O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@H]1CCN(C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)[C@H](C(=O)N[C@H]4C[C@@H]4c4ccccc4)C3)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5404208
Phase Preclinical
Structure Type MOL
InChI Key OLWWUNBVUKFYPG-SJINULAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

749.9
MW (Da)
4.85
ALogP
5
HBA
3
HBD
127.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H47N5O5
MW 749.91
Aromatic Rings 4
Heavy Atoms 56
NP-Likeness -0.70

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