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Compound Detail

CHEMBL5426136

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCNS(=O)(=O)NC(=O)OCCN2OC[C@@H](N)C2=O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5426136
Phase Preclinical
Structure Type MOL
InChI Key SGCQXIVBVGYLNZ-BDMGVTFQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

531.5
MW (Da)
-3.92
ALogP
15
HBA
6
HBD
259.4
PSA (Ų)
0.18
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25N9O9S
MW 531.51
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.30

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