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Compound Detail

CHEMBL2220965

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Nc1ccc2c(c1)c(-c1ccccc1)[n+](CCCNCCNCCC[n+]1c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc31)c1cc(N)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220965
Phase Preclinical
Structure Type MOL
InChI Key CTTVIEYMZPRCCH-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

713.0
MW (Da)
7.20
ALogP
6
HBA
6
HBD
135.9
PSA (Ų)
0.03
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H48N8+2
MW 712.95
Aromatic Rings 8
Heavy Atoms 54
NP-Likeness 0.12

Data from ChEMBL 36 via Core Engine