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Compound Detail

CHEMBL4860373

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N#Cc1ccc(Cn2c(NC3CCN(CCN4CCOCC4)CC3)nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4860373
Phase Preclinical
Structure Type MOL
InChI Key LIPOLKSEMPHRMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
3.16
ALogP
7
HBA
1
HBD
69.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N6O
MW 444.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.65

Literature References

PubMed DOI Target Context # Activities
34413963 10.1021/acsmedchemlett.1c00328 Plasmodium falciparum 2
34413963 10.1021/acsmedchemlett.1c00328 No relevant target 1

Data from ChEMBL 36 via Core Engine