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Compound Detail

CHEMBL3307178

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c1ccc2c(c1)cc1ccccc1[n+]2CCCCCC[n+]1c2ccccc2cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3307178
Phase Preclinical
Structure Type MOL
InChI Key ASWZLMYWTPKENS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
7.14
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.14
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H30N2+2
MW 442.61
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine