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Compound Detail

CHEMBL4755230

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NCCCNC(=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 CHEMBL4755230
Phase Preclinical
Structure Type MOL
InChI Key RLTATLDNCJRSDK-DHTGQPOCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

476.0
MW (Da)
0.83
ALogP
9
HBA
5
HBD
151.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30ClN7O3
MW 475.98
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.08

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