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Compound Detail

CHEMBL5430131

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CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5430131
Phase Preclinical
Structure Type MOL
InChI Key JPQHLWWKDYTSCU-CMURFVSUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
1.77
ALogP
5
HBA
3
HBD
131.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34F3N5O4
MW 513.56
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
37182612 10.1016/j.bmcl.2023.129324 Replicase polyprotein 1ab 1
37182612 10.1016/j.bmcl.2023.129324 Human coronavirus OC43 1

Data from ChEMBL 36 via Core Engine