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Compound Detail

CHEMBL392973

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CON(C)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL392973
Phase Preclinical
Structure Type MOL
InChI Key TUGFKLICLRMBKW-IOSLPCCCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
-1.98
ALogP
11
HBA
4
HBD
152.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N6O5
MW 326.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.72

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