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Compound Detail

CHEMBL3556959

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c1cnc(N2CCC3(CCN(Cc4ccncc4)CC3)CC2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3556959
Phase Preclinical
Structure Type MOL
InChI Key RXJHKYJNFOYOPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
2.75
ALogP
5
HBA
0
HBD
45.1
PSA (Ų)
0.87
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 C19H25N5
MW 323.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
32078764 10.1021/acsinfecdis.9b00482 Plasmodium berghei 2
32078764 10.1021/acsinfecdis.9b00482 HepG2 1
32078764 10.1021/acsinfecdis.9b00482 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine