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Compound Detail

CHEMBL3321872

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CN1CCN(c2ccc3nc(Nc4ccccn4)[nH]c3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3321872
Phase Preclinical
Structure Type MOL
InChI Key QEAYUNKPZGCWIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.45
ALogP
5
HBA
2
HBD
60.1
PSA (Ų)
0.78
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 C17H20N6
MW 308.39
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
25007124 10.1021/jm500715u Plasmodium falciparum 2
25007124 10.1021/jm500715u Unchecked 1

Data from ChEMBL 36 via Core Engine