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Compound Detail

CHEMBL237009

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Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)/c(=N\OCc2ccccc2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237009
Phase Preclinical
Structure Type MOL
InChI Key HJTUBGKZYJLDSX-XNIJJKJLSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
-1.01
ALogP
10
HBA
5
HBD
164.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N6O5
MW 388.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.66

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
17548196 10.1016/j.bmc.2007.05.038 Plasmodium falciparum 2
17548196 10.1016/j.bmc.2007.05.038 Unchecked 2
17548196 10.1016/j.bmc.2007.05.038 KB 1

Data from ChEMBL 36 via Core Engine