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Compound Detail

CHEMBL5178853

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CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O)C2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5178853
Phase Preclinical
Structure Type MOL
InChI Key OOGWLUVPYYAXCE-WCBJTDJXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
0.06
ALogP
5
HBA
4
HBD
150.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34F3N5O5
MW 517.55
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 0.48

Literature References

PubMed DOI Target Context # Activities
35971455 10.1021/acsmedchemlett.2c00260 Replicase polyprotein 1ab 2
37595260 10.1021/acs.jmedchem.3c00810 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine