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Compound Detail

CHEMBL4577499

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COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(F)c4oc5ccc(-c6cnc([C@@H]7CCCN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]6)cc5c(=O)c4cc3c2)[nH]1)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4577499
Phase Preclinical
Structure Type MOL
InChI Key LYOZUKZKCWAPEP-SEXBWERRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

848.9
MW (Da)
7.11
ALogP
10
HBA
4
HBD
204.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H49FN8O8
MW 848.93
Aromatic Rings 6
Heavy Atoms 62
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
30711390 10.1016/j.bmcl.2019.01.031 Nonstructural protein 5A 5

Data from ChEMBL 36 via Core Engine