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Compound Detail

CHEMBL5290977

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O=C(NCCc1ccccc1C(F)(F)F)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCN1C(=O)COc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5290977
Phase Preclinical
Structure Type MOL
InChI Key TZLYOSNAFGPYQF-TZYHBYERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

671.5
MW (Da)
3.32
ALogP
6
HBA
3
HBD
133.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31Cl2F3N4O6
MW 671.50
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
36332546 10.1016/j.ejmech.2022.114853 Unchecked 4
36332546 10.1016/j.ejmech.2022.114853 SARS-CoV-2 2
36332546 10.1016/j.ejmech.2022.114853 Vero C1008 1
36332546 10.1016/j.ejmech.2022.114853 ADMET 1

Data from ChEMBL 36 via Core Engine