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Compound Detail

CHEMBL4126846

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CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)NC(C[C@@H]1CCNC1=O)C1CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4126846
Phase Preclinical
Structure Type MOL
InChI Key UAMPMBFOILPVMW-VTNJCNTASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

614.7
MW (Da)
3.62
ALogP
6
HBA
4
HBD
138.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H42N4O6
MW 614.74
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
29779977 10.1016/j.bmcl.2018.05.012 Protease 2
29779977 10.1016/j.bmcl.2018.05.012 Nonstructural polyprotein 2
29779977 10.1016/j.bmcl.2018.05.012 Norovirus 2
29779977 10.1016/j.bmcl.2018.05.012 Huh-7 1
29779977 10.1016/j.bmcl.2018.05.012 PBMC 1
29779977 10.1016/j.bmcl.2018.05.012 CCRF-CEM 1
29779977 10.1016/j.bmcl.2018.05.012 Vero 1

Data from ChEMBL 36 via Core Engine