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Compound Detail

CHEMBL467880

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CCCCCCNc1nc(C#N)nc2c1NCN2C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467880
Phase Preclinical
Structure Type MOL
InChI Key XDVRTWBRVKLOBP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
3.47
ALogP
6
HBA
2
HBD
76.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26N6
MW 314.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
19447616 10.1016/j.bmcl.2009.04.142 Plasmodium falciparum 4

Data from ChEMBL 36 via Core Engine