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Compound Detail

CHEMBL5424165

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCNS(N)(=O)=O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5424165
Phase Preclinical
Structure Type MOL
InChI Key IWBHTWSOPXIOHC-IOSLPCCCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
-2.79
ALogP
10
HBA
5
HBD
191.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17N7O5S
MW 359.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.46

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
37948922 10.1016/j.bmc.2023.117509 Unchecked 2

Data from ChEMBL 36 via Core Engine