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Compound Detail

CHEMBL4779750

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CC(C)[C@@H](Nc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CN)C[C@H]12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779750
Phase Preclinical
Structure Type MOL
InChI Key ZYNUYIILWMKCTN-XRPRFISDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.9
MW (Da)
1.57
ALogP
8
HBA
4
HBD
122.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27ClN6O2
MW 406.92
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.37

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