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Compound Detail

CHEMBL2030492

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Cc1c(-c2ccc(-c3cnn(CCN4CCCCC4)c3)cc2)[nH]c2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2030492
Phase Preclinical
Structure Type MOL
InChI Key JHPSWZZHCSPUFO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.85
ALogP
4
HBA
1
HBD
53.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N4O
MW 412.54
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
22364417 10.1021/jm201184h Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine