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Compound Detail

CHEMBL3321971

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Brc1ccc(Nc2nc3ccc(N4CCOCC4)cc3[nH]2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3321971
Phase Preclinical
Structure Type MOL
InChI Key XKAWYXJIFBFPCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.2
MW (Da)
3.30
ALogP
5
HBA
2
HBD
66.1
PSA (Ų)
0.74
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 C16H16BrN5O
MW 374.24
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.87

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