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Compound Detail

CHEMBL455333

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Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCCCCc1cn(CCNc3c4c(nc5ccccc35)CCCC4)nn1)c1cc(N)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455333
Phase Preclinical
Structure Type MOL
InChI Key NAARZDJZGYBXKL-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

661.9
MW (Da)
8.05
ALogP
7
HBA
3
HBD
111.5
PSA (Ų)
0.05
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C42H45N8+
MW 661.88
Aromatic Rings 7
Heavy Atoms 50
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine