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Compound Detail

CHEMBL4440583

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CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440583
Phase Preclinical
Structure Type MOL
InChI Key INBSFPYXSLOVDU-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
1.29
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N3O5
MW 389.45
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
32045235 10.1021/acs.jmedchem.9b01828 Unchecked 4
32045235 10.1021/acs.jmedchem.9b01828 Enterovirus A71 1
32045235 10.1021/acs.jmedchem.9b01828 Coronavirus 1
32045235 10.1021/acs.jmedchem.9b01828 SARS-CoV 1

Data from ChEMBL 36 via Core Engine