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Compound Detail

CHEMBL4115971

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CCN(CC)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4115971
Phase Preclinical
Structure Type MOL
InChI Key VJWLNNQRIDSKDX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.5
MW (Da)
4.68
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.62
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 C22H25N2+
MW 317.46
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine