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Compound Detail

CHEMBL5199404

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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)NCCC1CCNC1=O)C2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5199404
Phase Preclinical
Structure Type MOL
InChI Key VCUFBXKAKULFBK-FIEDHZCBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.5
MW (Da)
1.21
ALogP
4
HBA
3
HBD
107.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H33F3N4O4
MW 474.52
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
35971455 10.1021/acsmedchemlett.2c00260 Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine