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Compound Detail

CHEMBL4749072

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NCCNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CC4)C4CC4)nc(Cl)nc31)[C@H](O)[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749072
Phase Preclinical
Structure Type MOL
InChI Key VFTYJBOHHQWMCU-QNEDUEMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

461.9
MW (Da)
0.44
ALogP
9
HBA
5
HBD
151.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28ClN7O3
MW 461.95
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
33031923 10.1016/j.bmcl.2020.127599 Enterovirus A71 2
33031923 10.1016/j.bmcl.2020.127599 Vero 76 2
33031923 10.1016/j.bmcl.2020.127599 Unchecked 2

Data from ChEMBL 36 via Core Engine