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Compound Detail

CHEMBL1179914

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c1ccc2c(c1)ccc[n+]2CCCCCCCCCCCC[n+]1cccc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179914
Phase Preclinical
Structure Type MOL
InChI Key KQWKYDIWXCLYSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
7.17
ALogP
0
HBA
0
HBD
7.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N2+2
MW 426.65
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.04

Data from ChEMBL 36 via Core Engine