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Compound Detail

CHEMBL81081

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N#CCCC[n+]1nc(-c2ccccc2)cc(-c2ccccc2)c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL81081
Phase Preclinical
Structure Type MOL
InChI Key FZQUHECMLDDOPP-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.59
ALogP
3
HBA
1
HBD
66.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N4+
MW 315.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine