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Compound Detail

CHEMBL5269574

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Cn1c(NC2CCN(CCc3ccc(C(=O)N4CCOCC4)cc3)CC2)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5269574
Phase Preclinical
Structure Type MOL
InChI Key IRJQOFWHOXMSMB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
3.16
ALogP
6
HBA
1
HBD
62.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N5O2
MW 447.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
36507890 10.1021/acs.jmedchem.2c01516 Plasmodium falciparum 1
36507890 10.1021/acs.jmedchem.2c01516 No relevant target 1

Data from ChEMBL 36 via Core Engine