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Compound Detail

CHEMBL235087

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CN(N)c1ncnc2[nH]cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235087
Phase Preclinical
Structure Type MOL
InChI Key PBKSSPAQDJOBIO-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

164.2
MW (Da)
-0.34
ALogP
5
HBA
2
HBD
83.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H8N6
MW 164.17
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.92

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
17548196 10.1016/j.bmc.2007.05.038 Plasmodium falciparum 3
17548196 10.1016/j.bmc.2007.05.038 Unchecked 3
17548196 10.1016/j.bmc.2007.05.038 KB 1

Data from ChEMBL 36 via Core Engine