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Compound Detail

CHEMBL5566215

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C=CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5566215
Phase Preclinical
Structure Type MOL
InChI Key TZIKEKRVSOGHBO-SVBPBHIXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
3.43
ALogP
3
HBA
4
HBD
103.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N4O3
MW 494.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
38232463 10.1016/j.ejmech.2024.116128 SARS-CoV-2 5
38232463 10.1016/j.ejmech.2024.116128 Vero 2
38232463 10.1016/j.ejmech.2024.116128 Replicase polyprotein 1ab 1
38232463 10.1016/j.ejmech.2024.116128 Procathepsin L 1
38232463 10.1016/j.ejmech.2024.116128 Human coronavirus 229E 1
38232463 10.1016/j.ejmech.2024.116128 Human coronavirus OC43 1

Data from ChEMBL 36 via Core Engine