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Compound Detail

CHEMBL235089

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CON(C)c1ncnc2[nH]cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL235089
Phase Preclinical
Structure Type MOL
InChI Key XCNANKICTBFBNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

179.2
MW (Da)
0.35
ALogP
5
HBA
1
HBD
66.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9N5O
MW 179.18
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.85

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