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Compound Detail

CHEMBL5406614

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CC(Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5406614
Phase Preclinical
Structure Type MOL
InChI Key UQZKYRIIOYXZDD-XZNUSECASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

405.8
MW (Da)
1.26
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20ClN5O4
MW 405.84
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
36455356 10.1016/j.ejmech.2022.114942 Enterovirus A71 1
36455356 10.1016/j.ejmech.2022.114942 RD 1
36455356 10.1016/j.ejmech.2022.114942 ADMET 1
36455356 10.1016/j.ejmech.2022.114942 SARS-CoV-2 1
36455356 10.1016/j.ejmech.2022.114942 Zika virus 1
36455356 10.1016/j.ejmech.2022.114942 Vero C1008 1

Data from ChEMBL 36 via Core Engine