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Compound Detail

CHEMBL4088363

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CNc1nc(NC)c2ncn([C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088363
Phase Preclinical
Structure Type MOL
InChI Key IBJQHRYWNBKECU-IOSLPCCCSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
-0.45
ALogP
9
HBA
4
HBD
117.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N6O3
MW 294.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.71

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
28284860 10.1016/j.bmc.2017.02.016 Unchecked 4
28284860 10.1016/j.bmc.2017.02.016 Trypanosoma brucei rhodesiense 1
28284860 10.1016/j.bmc.2017.02.016 L6 1
28284860 10.1016/j.bmc.2017.02.016 Trypanosoma cruzi 1
28284860 10.1016/j.bmc.2017.02.016 Leishmania donovani 1
28284860 10.1016/j.bmc.2017.02.016 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine