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Compound Detail

CHEMBL5402032

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NCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5402032
Phase Preclinical
Structure Type MOL
InChI Key WTXJBYDZDYFLLQ-IOSLPCCCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
-1.62
ALogP
9
HBA
4
HBD
145.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N6O3
MW 280.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.24

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